SCHEMBL6993277

SCHEMBL6993277

O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1)c1ccc(F)cc1Cl

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.85
AVPR1A P37288 8/20 0.85
AVPR1B P47901 4/20 0.63
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GRM4 Q14833 1/20 0.46

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
SCHEMBL8797804 0.92 AVPR1A (1.00) AVPR2AVPR1AAVPR1B
SCHEMBL8796707 0.90 AVPR1A (0.74) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL8796970 0.86 AVPR1A (0.73) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL8797156 0.85 AVPR1A (0.73) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL8796809 0.85 AVPR1A (0.79) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL8796903 0.84 AVPR1A (0.74) AVPR2AVPR1AAVPR1BTP53
SCHEMBL8801105 0.84 AVPR2 (0.72) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL8880709 0.84 AVPR2 (0.67) AVPR2AVPR1AAVPR1BLMNA
SCHEMBL6991283 0.83 AVPR1A (1.00) AVPR2AVPR1AAVPR1B
SCHEMBL8796876 0.82 AVPR2 (0.64) AVPR2AVPR1AAVPR1BLMNATP53

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 2 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