SCHEMBL6988520

SCHEMBL6988520

O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.66
AVPR1B P47901 6/20 0.66
AVPR2 P30518 2/20 0.64
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
CASP1 P29466 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL6991954 0.80 AVPR1A (0.65) AVPR1AAVPR1BAVPR2RAB9ANPC1
SCHEMBL7350090 0.80 MEN1 (0.64) MEN1KMT2A
SCHEMBL6989046 0.80 AVPR1A (1.00) AVPR1AAVPR1BAVPR2
SCHEMBL6988528 0.80 AVPR1A (1.00) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL7365160 0.79 AVPR1A (0.68) AVPR1AAVPR1BAVPR2SMN1; SMN2MAPT
SCHEMBL8796877 0.79 AVPR1A (0.71) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988098 0.79 AVPR1A (0.74) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8799494 0.79 AVPR1A (0.65) AVPR1AAVPR1BAVPR2RAB9ANPC1
SCHEMBL6987161 0.78 AVPR1A (0.73) AVPR1AAVPR1BAVPR2RAB9ANPC1
SCHEMBL6991783 0.78 AVPR1A (0.67) AVPR1AAVPR1BAVPR2MAPTALDH1A1

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 5 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
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