SCHEMBL485885

SCHEMBL485885

CCc1ccc(C2CC(OC(=O)Nc3ccccc3)CN(C(=O)CC3CC3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.68
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
STAT1 P42224 1/20 0.50
BCHE P06276 6/20 0.45
MAOB P27338 2/20 0.45
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL485988 0.85 F2R (0.72) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL664244 0.84 F2R (0.73) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10240194 0.81 F2R (1.00) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10188954 0.73 F2R (0.68) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10188941 0.71 F2R (0.71) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL660487 0.71 F2R (1.00) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL486025 0.71 F2R (0.60) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL486169 0.71 F2R (0.73) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10188857 0.71 F2R (0.75) F2RRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10188905 0.70 F2R (0.76) F2RRAB9ANPC1SMN1; SMN2MAPT

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