SCHEMBL6018121

SCHEMBL6018121

O=CN(CCO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC10 Q969S8 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7668430 0.83 ALDH1A1 (0.42) KDM4EALDH1A1GLATSHRTP53
SCHEMBL7808021 0.81 ALOX15 (0.38) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL709444 0.81 TP53 (0.44) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL10502805 0.78 KCNA5 (0.41) KDM4ETSHRNPSR1GAACYP3A4
SCHEMBL489809 0.78 TDP1 (0.46) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL8208070 0.77 TP53 (0.42) KDM4EALDH1A1GLATSHRTP53
SCHEMBL28590360 0.77 HDAC2 (0.44) ALDH1A1GLATSHRTP53NPSR1
SCHEMBL10481522 0.77 TP53 (0.46) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL698988 0.77 ALDH1A1 (0.45) ALDH1A1GLATSHRTP53KMT2A
SCHEMBL704307 0.76 NPC1 (0.49) TP53KMT2AMEN1ALOX15NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129059-B2 Process for the preparation of compounds with enhanced optical purity DSM IP ASSETS B.V. (NL) 2006-10-31 US disclosed
US-20060127997-A1 Process for the preparation of compounds with enhanced optical purity QUAEDFLIEG PETER J L 2006-06-15 US disclosed
EP-1141333-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF AMINO ACID DERIVATIVES WITH ENHANCED OPTICAL PURITY DSM IP ASSETS BV (NL) 2006-06-14 EP disclosed
US-7018817-B1 Process for the preparation of compounds with enhanced optical purity DSM IP ASSETS B.V. (NL) 2006-03-28 US disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
WO-1997041104-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-06 WO disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed
CN-1049165-A The cycloalkyl that N-replaces and the tryptophane-phenylalanine of multi-ring alkyl alpha-substitution-and phenylethylamine derivative WARNER LAMBERT CO (US) 1991-02-13 CN disclosed