SCHEMBL6990010

SCHEMBL6990010

O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)C1CC=CCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.59
AVPR1B P47901 8/20 0.59
AVPR2 P30518 4/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL6988528 0.74 AVPR1A (1.00) AVPR1AAVPR1BAVPR2
SCHEMBL6988098 0.73 AVPR1A (0.74) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL7365160 0.73 AVPR1A (0.68) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8796877 0.73 AVPR1A (0.71) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8884989 0.73 AVPR1A (0.65) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6991954 0.73 AVPR1A (0.65) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6987161 0.73 AVPR1A (0.73) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988983 0.72 AVPR1A (0.79) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8742945 0.72 AVPR1A (1.00) AVPR1AAVPR1BAVPR2
SCHEMBL6985203 0.72 AVPR1A (0.61) AVPR1AAVPR1BAVPR2

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 4 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
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed
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