SCHEMBL8201646

SCHEMBL8201646

CC[C@@H](C)NC(=O)Cn1c(-c2ccc(F)c(OC)c2)nc2ccc(N3CCN=CCC3C)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.53
AVPR1A P37288 4/20 0.40
GHSR Q92847 1/20 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
SCHEMBL8211826 0.94 AVPR1B (0.52) AVPR1BAVPR1AGHSR
SCHEMBL8209391 0.91 AVPR1B (0.49) AVPR1BAVPR1AGHSR
SCHEMBL8199072 0.90 AVPR1B (0.50) AVPR1BAVPR1AGHSR
SCHEMBL8214011 0.87 AVPR1B (0.47) AVPR1BGHSR
SCHEMBL12334131 0.87 AVPR1B (0.59) AVPR1BAVPR1A
SCHEMBL12333788 0.86 AVPR1B (0.46) AVPR1BAVPR1AGHSR
SCHEMBL12333921 0.85 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL2465195 0.85 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL8199427 0.84 AVPR1B (0.51) AVPR1BAVPR1A
SCHEMBL8206368 0.82 AVPR1B (0.54) 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