SCHEMBL485798

SCHEMBL485798

CCc1ccc(C2CC(OC(=O)OC)CN(C(=O)N3CCCC3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.62
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 1/20 0.38
CYP2D6 P10635 1/20 0.37
MCHR1 Q99705 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
SCHEMBL1580358 0.92 F2R (0.75) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1580889 0.91 F2R (0.57) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1581579 0.89 F2R (0.61) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL27981817 0.89 F2R (0.62) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL486021 0.89 F2R (0.64) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL640707 0.83 F2R (0.60) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1580703 0.83 F2R (0.48) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1580414 0.82 F2R (0.70) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL3724723 0.81 F2R (0.60) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL1581192 0.81 F2R (0.77) F2RNPC1RAB9AMAPTSTAT1

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 6 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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed