SCHEMBL7748342

SCHEMBL7748342

O=[C]CNC(=O)CCOc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
RECQL P46063 2/20 0.65
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KMT2A Q03164 4/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2D6 P10635 1/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
MMP3 P08254 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52

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
SCHEMBL7748285 0.83 HPGD (0.63) TSHRRECQLCYP1A2CYP2C9CYP2C19
SCHEMBL25365255 0.80 TSHR (0.69) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL10588204 0.80 CYP1A2 (0.67) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL17621162 0.79 HPGD (0.65) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL17621161 0.79 HPGD (0.74) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL4773749 0.78 MMP3 (0.81) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL17620424 0.76 HPGD (0.78) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL4412374 0.76 CYP1A2 (0.67) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL26345693 0.76 CYP1A2 (0.67) TSHRRECQLCYP1A2CYP3A4CYP2C9
SCHEMBL8258564 0.75 CYP1A2 (0.61) TSHRRECQLCYP1A2CYP3A4CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 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-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP 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