SCHEMBL486466

SCHEMBL486466

CCc1ccc(C2CC(NC(=O)ON3CCCC3)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.69
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL662549 0.86 F2R (0.74) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL662897 0.83 F2R (0.81) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485888 0.83 F2R (0.65) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486133 0.82 F2R (1.00) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485844 0.81 F2R (0.61) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485838 0.80 F2R (0.61) F2R
SCHEMBL486104 0.80 F2R (0.61) F2RMAPTRAB9AMEN1KMT2A
SCHEMBL485980 0.80 F2R (0.73) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486536 0.80 F2R (0.73) F2RMEN1POLBKMT2A
SCHEMBL662456 0.80 F2R (1.00) 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