SCHEMBL5264331

SCHEMBL5264331

CC(c1ccc(Cl)cc1)C(CNC(=O)c1ccccc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TSHR P16473 2/20 0.49
SLC6A9 P48067 2/20 0.48
EPHX2 P34913 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47
MAPT P10636 1/20 0.47
CYP27B1 O15528 2/20 0.47
CYP24A1 Q07973 2/20 0.47
GPR139 Q6DWJ6 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KCNA5 P22460 3/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5262488 0.89 SLC6A9 (0.55) SLC6A9EPHX2SLC6A5CYP27B1CYP24A1
SCHEMBL5262774 0.88 SLC6A9 (0.54) SLC6A9SLC6A5GPR139MEN1KMT2A
SCHEMBL5262392 0.83 SLC6A9 (0.53) TSHRSLC6A9EPHX2CYP27B1CYP24A1
SCHEMBL5266049 0.82 RAB9A (0.60) LMNATSHRSLC6A9SLC6A5MAPT
SCHEMBL5202615 0.81 ALDH1A1 (0.43) LMNATSHRCNR1KCNA5TP53
SCHEMBL5260012 0.81 UTS2R (0.53) SLC6A9SLC6A5MAPTCYP27B1CYP24A1
SCHEMBL5260864 0.81 SLC6A9 (0.46) LMNATSHRSLC6A9CYP2C9SLC6A5
SCHEMBL4691697 0.81 CNR1 (0.67) CYP2C9CYP2C19CNR1
SCHEMBL5200440 0.80 ALDH1A1 (0.48) LMNACYP2C9CYP2C19CNR1SMN1; SMN2
SCHEMBL5263576 0.80 RAB9A (0.46) LMNATSHRSLC6A9MAPTGPR139

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