SCHEMBL486316

SCHEMBL486316

CCCCN(C(=O)O)C1(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C)c(C)c3)C2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.60
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL485857 0.84 F2R (0.64) F2RCYP2C19RAB9A
SCHEMBL10242070 0.81 F2R (0.86) F2RHPGDCYP2C19
Hydrochloric Acid SCHEMBL485864 0.81 F2R (0.84) F2RHPGDCYP2C19
SCHEMBL485923 0.79 F2R (0.73) F2RCYP2C19MAPTSMN1; SMN2
SCHEMBL661951 0.78 F2R (0.70) F2RHPGDMAPTHTTRAB9A
SCHEMBL10241116 0.76 F2R (1.00) F2RHPGDLMNAMAPTHTT
SCHEMBL10242029 0.75 F2R (0.62) F2RHPGD
Hydrochloric Acid SCHEMBL661995 0.75 F2R (0.98) F2RHPGDLMNAMAPTHTT
SCHEMBL10242030 0.70 F2R (0.69) F2RHPGD
SCHEMBL486325 0.69 F2R (0.68) F2RHPGDNPSR1CYP2C19SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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