SCHEMBL486041

SCHEMBL486041

COCCN1CC(NC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.64
DRD4 P21917 2/20 0.45
HTR2A P28223 2/20 0.45
DRD2 P14416 1/20 0.44
LIPE Q05469 2/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
MCHR1 Q99705 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
KCNA5 P22460 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
SCHEMBL662577 0.87 F2R (0.68) F2RLIPEMMP2CHRM2
SCHEMBL661897 0.83 F2R (0.68) F2RLIPEMMP2
SCHEMBL663402 0.80 F2R (0.69) F2RLIPEMMP2
SCHEMBL661930 0.80 F2R (0.77) F2RKCNH2SCN5ASCN9A
SCHEMBL17135700 0.79 F2R (0.67) F2RLIPEMCHR1
SCHEMBL662393 0.78 F2R (0.79) F2RLIPE
SCHEMBL485795 0.78 F2R (1.00) F2RLIPEMMP2KCNH2SCN5A
SCHEMBL485918 0.78 F2R (0.62) F2RDRD4HTR2ADRD2CHRM2
SCHEMBL661444 0.77 F2R (0.82) F2RLIPEMCHR1
SCHEMBL662954 0.77 F2R (0.80) F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed