SCHEMBL6987161

SCHEMBL6987161

O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.73
AVPR1B P47901 4/20 0.73
AVPR2 P30518 3/20 0.62
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
BCAT2 O15382 1/20 0.47

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
SCHEMBL8796877 0.88 AVPR1A (0.71) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6993669 0.87 AVPR1A (0.79) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988983 0.85 AVPR1A (0.79) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988528 0.84 AVPR1A (1.00) AVPR1AAVPR1BAVPR2
SCHEMBL8799494 0.84 AVPR1A (0.65) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7365160 0.82 AVPR1A (0.68) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8797050 0.81 AVPR1A (0.59) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988098 0.80 AVPR1A (0.74) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6987073 0.80 AVPR1A (0.80) AVPR1AAVPR1BAVPR2KMT2AKDM4E
SCHEMBL8883555 0.79 AVPR1A (0.76) AVPR1AAVPR1BAVPR2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP claimed
US-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 US claimed
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US claimed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
US-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed