SCHEMBL8317076

SCHEMBL8317076

COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccccc1C

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.77
AVPR1A P37288 6/20 0.77

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
SCHEMBL8316028 0.93 AVPR1A (0.73) AVPR2AVPR1A
SCHEMBL7340028 0.90 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8318033 0.90 AVPR1A (0.69) AVPR2AVPR1A
SCHEMBL8316581 0.89 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL5740017 0.89 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL5740726 0.89 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7339277 0.88 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL8315535 0.87 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL8315264 0.85 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8314926 0.85 AVPR1A (0.68) 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