SCHEMBL486025

SCHEMBL486025

CCc1ccc(C2CC(OC(=O)O)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.60
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR5 P51681 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CSF1R P07333 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
SCHEMBL485721 0.88 F2R (0.57) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1580492 0.85 ALDH1A1 (0.45) F2RMAPTRAB9ASMN1; SMN2
SCHEMBL1580994 0.84 F2R (0.42) F2RCCR5
SCHEMBL486024 0.83 F2R (0.64) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486021 0.83 F2R (0.64) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1580503 0.83 F2R (0.59) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL1580710 0.82 EPHX2 (0.44) F2RMEN1KMT2A
SCHEMBL1581226 0.82 F2R (0.47) F2RCCR5
SCHEMBL10188700 0.81 F2R (0.65) F2RSMN1; SMN2CCR5MEN1KMT2A
SCHEMBL1580636 0.81 F2R (0.60) 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 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