SCHEMBL486332

SCHEMBL486332

N#CC1CCN(C(=O)N2CC(OC(=O)O)CC(c3ccc(C(F)(F)F)cc3)C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.64
RORC P51449 1/20 0.39
LIPE Q05469 1/20 0.38
SCN9A Q15858 1/20 0.37
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.36
ENPP2 Q13822 1/20 0.36
MCHR1 Q99705 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PROKR1 Q8TCW9 2/20 0.36

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
SCHEMBL486268 0.89 F2R (0.63) F2RRORCLIPEMCHR1PROKR1
SCHEMBL1580804 0.89 F2R (0.63) F2RRORCLIPEEPHX2MCHR1
SCHEMBL3161600 0.89 F2R (0.51) F2REPHX2
SCHEMBL486495 0.85 F2R (0.69) F2RRORCLIPEUSP30
SCHEMBL3802720 0.85 F2R (0.48) F2RRORCLIPEKCNH2MCHR1
SCHEMBL485916 0.85 F2R (0.63) F2RRORCEPHX2
SCHEMBL1580501 0.84 F2R (0.52) F2RLIPEKCNH2PROKR1
SCHEMBL1580496 0.84 F2R (0.58) F2RKCNH2
SCHEMBL3800392 0.84 F2R (0.64) F2RLIPEKCNH2PROKR1
SCHEMBL3802875 0.83 F2R (0.68) F2RRORCLIPEMCHR1PROKR1

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