SCHEMBL3289503

SCHEMBL3289503

O=C(Nc1cccc(OC2CCN(C(=O)O)CC2)c1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
SCN10A Q9Y5Y9 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
RXFP1 Q9HBX9 3/20 0.44
APOB P04114 1/20 0.44
MTTP P55157 1/20 0.44
TRPV4 Q9HBA0 3/20 0.43
IDH2 P48735 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
DDR1 Q08345 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5144167 0.92 KDM4E (0.48) EPHX2SCN10AKDM4EGAARXFP1
SCHEMBL4074915 0.91 APOB (0.51) EPHX2KDM4EGAAAPOBMTTP
SCHEMBL5145537 0.90 SMN1; SMN2 (0.52) EPHX2SCN10AKDM4EGAAAPOB
SCHEMBL3289775 0.90 POLB (0.51) EPHX2SCN10AKDM4EGAARXFP1
SCHEMBL3295277 0.89 P2RX1 (0.47) EPHX2SCN10AKDM4EGAA
SCHEMBL3289889 0.88 MAPT (0.45) EPHX2SCN10AKDM4EGAARXFP1
SCHEMBL5145637 0.87 F10 (0.48) SCN10AKDM4EGAARXFP1APOB
SCHEMBL3290068 0.86 EPHX2 (0.45) EPHX2SCN10ARXFP1APOBMTTP
SCHEMBL4081256 0.83 KDM4E (0.49) EPHX2KDM4EGAAALDH1A1
SCHEMBL3292142 0.82 MTTP (0.52) KDM4EGAAAPOBMTTPALDH1A1

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