SCHEMBL7366451

SCHEMBL7366451

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ncccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.74
AVPR2 P30518 11/20 0.74
OXTR P30559 1/20 0.62
AVPR1B P47901 1/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL7347384 0.85 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7345883 0.82 MEN1 (0.63) AVPR1AAVPR2TP53
SCHEMBL7347271 0.79 AVPR1A (0.88) AVPR1AAVPR2OXTR
SCHEMBL7352772 0.78 AVPR1A (0.82) AVPR1AAVPR2OXTR
SCHEMBL7351740 0.78 AVPR2 (0.94) AVPR1AAVPR2OXTR
SCHEMBL7347158 0.78 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL29383797 0.77 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL7351118 0.77 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6991132 0.76 AVPR1A (0.72) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7343665 0.76 AVPR1A (0.98) AVPR1AAVPR2OXTRAVPR1B

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-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