SCHEMBL5263124

SCHEMBL5263124

CC(c1ccc(Cl)cc1)C(CNC(=O)c1ccc(-c2ccccc2C=O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR139 Q6DWJ6 1/20 0.42
TP53 P04637 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CYP24A1 Q07973 3/20 0.41
CYP27B1 O15528 2/20 0.41
SLC6A9 P48067 2/20 0.41
SLC6A5 Q9Y345 2/20 0.41
LMNA P02545 1/20 0.39
UTS2R Q9UKP6 6/20 0.39
GCG P01275 1/20 0.39

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
SCHEMBL5261394 0.85 SMN1; SMN2 (0.48) MEN1RAB9AKMT2ASMN1; SMN2GPR139
SCHEMBL5260794 0.85 MEN1 (0.45) MEN1RAB9AKMT2ASMN1; SMN2GPR139
SCHEMBL5260012 0.84 UTS2R (0.53) MEN1RAB9AKMT2ASMN1; SMN2GPR139
SCHEMBL5266049 0.82 RAB9A (0.60) MEN1RAB9AKMT2ASMN1; SMN2GPR139
SCHEMBL5262774 0.81 SLC6A9 (0.54) MEN1RAB9AKMT2ASMN1; SMN2GPR139
SCHEMBL5263122 0.79 CNR1 (0.53)
SCHEMBL5262488 0.75 SLC6A9 (0.55) MEN1RAB9AKMT2ASMN1; SMN2GPR139
SCHEMBL5373381 0.75 UTS2R (0.55) MEN1RAB9AKMT2ASMN1; SMN2DRD2
SCHEMBL5262392 0.74 SLC6A9 (0.53) MEN1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL5261739 0.73 NPC1 (0.61) RAB9AGPR139

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