SCHEMBL8318033

SCHEMBL8318033

COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.69
AVPR2 P30518 5/20 0.69

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
SCHEMBL8314926 0.92 AVPR1A (0.68) AVPR1AAVPR2
SCHEMBL8315264 0.91 AVPR2 (0.75) AVPR1AAVPR2
SCHEMBL7340028 0.90 AVPR2 (0.70) AVPR1AAVPR2
SCHEMBL8313278 0.90 AVPR2 (0.64) AVPR1AAVPR2
SCHEMBL8317076 0.90 AVPR2 (0.77) AVPR1AAVPR2
SCHEMBL7331851 0.88 AVPR2 (0.72) AVPR1AAVPR2
SCHEMBL8316343 0.88 AVPR2 (0.68) AVPR1AAVPR2
SCHEMBL8316028 0.87 AVPR1A (0.73) AVPR1AAVPR2
SCHEMBL7334994 0.87 AVPR2 (0.70) AVPR1AAVPR2
SCHEMBL8317804 0.86 AVPR1A (0.65) 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