SCHEMBL7965580

SCHEMBL7965580

O=[C]C(=Cc1ccccc1)CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
PTPRA P18433 1/20 0.40
NAAA Q02083 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7975704 0.86 RAB9A (0.42) CYP1A2SMN1; SMN2CYP2C19NPC1POLB
SCHEMBL14690678 0.77 KEAP1 (0.48) SMN1; SMN2NPC1RAB9ATDP1LMNA
SCHEMBL7978910 0.75 KDM4E (0.44) CYP1A2NPC1PKMRAB9AHPGD
SCHEMBL7669832 0.74 SMN1; SMN2 (0.49) CYP1A2SMN1; SMN2CYP2C19HRH1NPC1
SCHEMBL333243 0.73 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL29499090 0.73 SMN1; SMN2 (0.62) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL4174816 0.72 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL28672925 0.72 SMN1; SMN2 (0.60) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL626826 0.72 HRH1 (0.57) CYP1A2SMN1; SMN2CYP2C19HRH1NPC1
SCHEMBL7625514 0.71 MCL1 (0.43) LMNACYP3A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-6083959-A BRADYKININ ANTAGONISTS; FOR THE PREVENTION AND/OR THE TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 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-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
EP-0900203-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP 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