SCHEMBL486268

SCHEMBL486268

COC(=O)OC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(C#N)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.63
LIPE Q05469 1/20 0.40
MCHR1 Q99705 1/20 0.39
RORC P51449 2/20 0.38
PROKR1 Q8TCW9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL486332 0.89 F2R (0.64) F2RLIPEMCHR1RORCPROKR1
SCHEMBL1581262 0.89 F2R (0.51) F2R
SCHEMBL1581579 0.86 F2R (0.61) F2RMCHR1
SCHEMBL1580561 0.85 F2R (0.60) F2RLIPERORC
SCHEMBL640711 0.85 F2R (0.69) F2RLIPERORCPROKR1KDM4E
SCHEMBL1581286 0.84 F2R (0.46) F2R
SCHEMBL1581804 0.82 F2R (0.54) F2R
SCHEMBL3802875 0.81 F2R (0.68) F2RLIPEMCHR1RORCPROKR1
Hydrochloric Acid SCHEMBL661193 0.80 F2R (0.67) F2RLIPEMCHR1RORCPROKR1
SCHEMBL486495 0.80 F2R (0.69) F2RLIPERORCGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
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