SCHEMBL8315264

SCHEMBL8315264

COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.75
AVPR1A P37288 5/20 0.75

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
SCHEMBL8314277 0.93 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL8318033 0.91 AVPR1A (0.69) AVPR2AVPR1A
SCHEMBL8312708 0.89 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL7339277 0.89 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL8315230 0.87 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8319275 0.86 AVPR2 (0.85) AVPR2AVPR1A
SCHEMBL8315181 0.86 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8314151 0.86 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8315535 0.86 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL7334994 0.86 AVPR2 (0.70) AVPR2AVPR1A

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