SCHEMBL12333641

SCHEMBL12333641

Cc1ccc(-c2nc3ccc(N4CCCN(CCO)CC4)cc3c(=O)n2CC(=O)NC(C)C)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.57
AVPR1A P37288 9/20 0.52

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
SCHEMBL2462452 0.93 AVPR1B (0.57) AVPR1BAVPR1A
SCHEMBL2462978 0.91 AVPR1B (0.67) AVPR1BAVPR1A
SCHEMBL8206105 0.87 AVPR1B (0.57) AVPR1BAVPR1A
SCHEMBL2457276 0.86 AVPR1B (0.60) AVPR1BAVPR1A
SCHEMBL2457204 0.86 AVPR1B (0.58) AVPR1BAVPR1A
SCHEMBL2462372 0.86 AVPR1B (0.56) AVPR1BAVPR1A
SCHEMBL3452086 0.85 AVPR1B (0.57) AVPR1BAVPR1A
SCHEMBL2458663 0.85 AVPR1B (0.67) AVPR1BAVPR1A
SCHEMBL2462541 0.84 AVPR1B (0.66) AVPR1BAVPR1A
SCHEMBL2457220 0.84 AVPR1B (0.56) 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
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed