SCHEMBL6986447

SCHEMBL6986447

O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.71
AVPR1B P47901 4/20 0.71
AVPR2 P30518 2/20 0.58
THRB P10828 1/20 0.49
KCNQ2 O43526 1/20 0.47
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6987460 0.89 AVPR1A (0.71) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6987453 0.88 AVPR1A (0.62) AVPR1AAVPR1BAVPR2THRBKCNQ2
SCHEMBL6991954 0.86 AVPR1A (0.65) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988528 0.83 AVPR1A (1.00) AVPR1AAVPR1BAVPR2
SCHEMBL6987431 0.80 AVPR1A (0.60) AVPR1AAVPR1BAVPR2
SCHEMBL6988324 0.79 AVPR1A (0.60) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6987161 0.78 AVPR1A (0.73) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6992463 0.78 AVPR1A (0.55) AVPR1AAVPR1BAVPR2KCNQ2MEN1
SCHEMBL7344295 0.77 KCNQ2 (0.47) AVPR1AAVPR1BAVPR2THRBKCNQ2
SCHEMBL8796877 0.77 AVPR1A (0.71) AVPR1AAVPR1BAVPR2MEN1KMT2A

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 7 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
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP 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