SCHEMBL3290068

SCHEMBL3290068

Cc1cc(C(F)(F)F)cc(C(=O)Nc2cccc(OC3CCN(C(=O)O)CC3)c2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ SMO Q99835 3/20 0.45
▸ CSF1R P07333 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ DDR1 Q08345 1/20 0.44
▸ TRPV4 Q9HBA0 3/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44
▸ MTTP P55157 5/20 0.43
▸ APOB P04114 4/20 0.43
▸ RHOA P61586 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3295205 0.91 MAPT (0.50) EPHX2SMOCSF1RPDGFRBKIT
SCHEMBL4075186 0.89 SMO (0.56) SMOMTTPAPOB
SCHEMBL3289503 0.86 EPHX2 (0.49) EPHX2CSF1RPDGFRBKITDDR1
SCHEMBL5144228 0.83 EPHX2 (0.45) EPHX2
SCHEMBL3289783 0.83 SMO (0.46) EPHX2SMOMTTPAPOB
SCHEMBL4074915 0.82 APOB (0.51) EPHX2MTTPAPOB
SCHEMBL5298159 0.81 MAPT (0.44) MTTPAPOBRXFP1
SCHEMBL3288828 0.81 MTTP (0.65) SMOMTTPAPOB
SCHEMBL5145627 0.81 EPHX2 (0.43) EPHX2SCN10A
SCHEMBL5142098 0.81 KMT2A (0.45) EPHX2

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
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 — — US claimed
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