SCHEMBL8198736

SCHEMBL8198736

Cc1cc(-c2nc3ccc(N4CCCN(C(C)C)CC4)cc3c(=O)n2CC(=O)NC(C)(C)C)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.51
AVPR1A P37288 8/20 0.40

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
SCHEMBL2456745 0.93 AVPR1B (0.49) AVPR1BAVPR1A
SCHEMBL3451853 0.91 AVPR1B (0.53) AVPR1B
SCHEMBL2458719 0.90 AVPR1B (0.54) AVPR1BAVPR1A
SCHEMBL2458639 0.88 AVPR1B (0.56) AVPR1BAVPR1A
SCHEMBL2465281 0.86 AVPR1B (0.45) AVPR1BAVPR1A
SCHEMBL8204120 0.86 AVPR1B (0.50) AVPR1BAVPR1A
SCHEMBL2465190 0.86 AVPR1B (0.53) AVPR1BAVPR1A
SCHEMBL2459078 0.85 AVPR1B (0.52) AVPR1BAVPR1A
SCHEMBL2458626 0.84 AVPR1B (0.54) AVPR1BAVPR1A
SCHEMBL2456349 0.84 AVPR1B (0.50) AVPR1BAVPR1A

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
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed