SCHEMBL8199072

SCHEMBL8199072

COc1cc(-c2nc3ccc(N4CCN=CCC4C)cc3c(=O)n2CC(=O)NCC(C)C)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 16/20 0.50
GHSR Q92847 3/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL8201646 0.90 AVPR1B (0.53) AVPR1BGHSRAVPR1A
SCHEMBL8211826 0.89 AVPR1B (0.52) AVPR1BGHSRAVPR1A
SCHEMBL8214011 0.88 AVPR1B (0.47) AVPR1BGHSR
SCHEMBL12333788 0.87 AVPR1B (0.46) AVPR1BGHSRAVPR1A
SCHEMBL8209391 0.87 AVPR1B (0.49) AVPR1BGHSRAVPR1A
SCHEMBL2463529 0.85 AVPR1B (0.52) AVPR1BAVPR1A
SCHEMBL12334131 0.84 AVPR1B (0.59) AVPR1BAVPR1A
SCHEMBL8199427 0.82 AVPR1B (0.51) AVPR1BAVPR1A
SCHEMBL3451589 0.80 AVPR1B (0.54) AVPR1BAVPR1A
SCHEMBL8206368 0.79 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