SCHEMBL4412951

SCHEMBL4412951

CCNc1nc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)cc1C#N

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.65
CNR2 P34972 16/20 0.65

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
SCHEMBL3615711 0.89 CNR1 (0.82) CNR1CNR2
SCHEMBL3628024 0.88 CNR1 (0.63) CNR1CNR2
SCHEMBL3625798 0.82 CNR1 (0.75) CNR1CNR2
SCHEMBL3479342 0.81 CNR1 (0.70) CNR1CNR2
SCHEMBL3482043 0.79 CNR1 (0.67) CNR1CNR2
SCHEMBL3622532 0.79 CNR1 (1.00) CNR1CNR2
SCHEMBL3627816 0.77 CNR1 (0.72) CNR1CNR2
SCHEMBL5359447 0.76 CNR1 (0.70) CNR1CNR2
SCHEMBL5296762 0.76 CNR1 (0.63) CNR1CNR2
SCHEMBL3624318 0.76 CNR1 (0.85) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
EP-1682550-A4 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2007-01-03 EP disclosed
CN-1875021-A Substituted naphthyridinone derivatives MERCK & CO INC (US) 2006-12-06 CN disclosed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 EP disclosed
WO-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 WO disclosed