SCHEMBL5877946

SCHEMBL5877946

COc1ccc2nc(-c3cccc(Cl)c3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.48
AVPR1B P47901 5/20 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
SCHEMBL5878217 0.93 POLB (0.46) AVPR1AAVPR1B
SCHEMBL5877712 0.93 AVPR1B (0.51) AVPR1B
SCHEMBL5877695 0.92 AVPR1B (0.46) AVPR1B
SCHEMBL5877978 0.91 AVPR1B (0.49) AVPR1B
SCHEMBL5878159 0.90 AVPR1A (0.49) AVPR1A
SCHEMBL5877858 0.89 AVPR1A (0.49) AVPR1A
SCHEMBL5877069 0.89 F11 (0.49) AVPR1B
SCHEMBL5877561 0.89 CYP2D6 (0.46) AVPR1B
SCHEMBL5876981 0.88 F11 (0.52) AVPR1B
SCHEMBL5878215 0.88 EGFR (0.48) AVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060706-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed