SCHEMBL5260602

SCHEMBL5260602

CC(NC(=O)c1ccncc1-c1nnn[nH]1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.44
CNR2 P34972 12/20 0.44
FDFT1 P37268 2/20 0.43

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
SCHEMBL5262358 0.88 CNR1 (0.46) CNR1CNR2FDFT1
SCHEMBL5260607 0.81 TGFBR1 (0.34)
SCHEMBL5260591 0.81 CNR1 (0.48) CNR1CNR2FDFT1
SCHEMBL5260356 0.78 CNR1 (0.52) CNR1CNR2FDFT1
SCHEMBL5263838 0.78 CNR1 (0.50) CNR1CNR2FDFT1
SCHEMBL5262390 0.76 CNR1 (0.59) CNR1CNR2FDFT1
SCHEMBL6325667 0.75 CNR1 (0.45) CNR1CNR2FDFT1
SCHEMBL5264060 0.74 CNR1 (0.49) CNR1CNR2FDFT1
SCHEMBL5262199 0.74 CNR1 (0.49) CNR1CNR2FDFT1
SCHEMBL5263940 0.74 CNR1 (0.60) CNR1CNR2FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP claimed
JP-2005527586-A 2005-09-15 JP claimed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP claimed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed