SCHEMBL8317683

SCHEMBL8317683

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2Cc3nccn3Cc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.53
RAB9A P51151 1/20 0.48
AVPR2 P30518 2/20 0.47

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
SCHEMBL8316199 0.91 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL8312663 0.88 AVPR2 (0.52) AVPR1AAVPR2
SCHEMBL8317342 0.86 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL8312327 0.85 AVPR2 (0.49) AVPR1AAVPR2
SCHEMBL8313614 0.85 AVPR2 (0.50) AVPR1AAVPR2
SCHEMBL8316971 0.83 AVPR1A (0.54) AVPR1ARAB9AAVPR2
SCHEMBL7339408 0.83 AVPR2 (0.64) AVPR1AAVPR2
SCHEMBL8316632 0.82 AVPR2 (0.56) AVPR1AAVPR2
SCHEMBL8317328 0.82 AVPR2 (0.49) AVPR1AAVPR2
SCHEMBL8318816 0.81 AVPR2 (0.54) AVPR1AAVPR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed