SCHEMBL6988967

SCHEMBL6988967

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.69
AVPR1B P47901 3/20 0.61
AVPR2 P30518 6/20 0.57
HSD11B1 P28845 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL6991584 0.92 AVPR1A (0.72) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6994023 0.91 AVPR1A (0.68) AVPR1AAVPR1BAVPR2
SCHEMBL6991600 0.91 AVPR1A (0.58) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6993363 0.90 AVPR1A (0.67) AVPR1AAVPR1BAVPR2HSD11B1
SCHEMBL6988119 0.89 AVPR1A (0.71) AVPR1AAVPR1BAVPR2
SCHEMBL6988983 0.88 AVPR1A (0.79) AVPR1AAVPR1BAVPR2HSD11B1MEN1
SCHEMBL6992414 0.88 AVPR1A (0.66) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6989325 0.88 AVPR1A (0.64) AVPR1AAVPR1BAVPR2
SCHEMBL6991577 0.86 AVPR1A (0.68) AVPR1AAVPR1BAVPR2
SCHEMBL6991357 0.85 AVPR1A (0.68) AVPR1AAVPR1BAVPR2KMT2A

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 6 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-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-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