SCHEMBL486097

SCHEMBL486097

CCc1ccc(C2CC(CNC(=O)O)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.63
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FKBP1A P62942 1/20 0.40
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL3793030 0.86 F2R (0.66) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL16579598 0.83 F2R (0.81) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL640569 0.82 F2R (0.66) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485847 0.82 F2R (0.69) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL640992 0.80 F2R (0.73) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL643116 0.80 F2R (0.66) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL641688 0.79 F2R (0.66) F2RNPC1FKBP1AALDH1A1
SCHEMBL1581192 0.79 F2R (0.77) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL641244 0.79 F2R (0.65) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL3796710 0.79 F2R (0.65) F2RNPC1MAPTSTAT1RAB9A

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