SCHEMBL485875

SCHEMBL485875

CCOC(=O)OC1CNCC(c2ccc(CC)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
ALDH1A1 P00352 1/20 0.37
F2R P25116 1/20 0.36
ESR2 Q92731 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 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
SCHEMBL485748 0.89 SLC6A3 (0.40) NAAAALDH1A1F2R
SCHEMBL1580755 0.86 ALDH1A1 (0.44) ALDH1A1TP53LMNAGAA
SCHEMBL27819148 0.86 ALDH1A1 (0.39) NAAAALDH1A1F2RLMNA
SCHEMBL1580744 0.85 SMN1; SMN2 (0.38) ALDH1A1ESR2TP53FFAR4LMNA
Hydrochloric Acid SCHEMBL1580706 0.85 ALDH1A1 (0.43) ALDH1A1TP53LMNAGAA
SCHEMBL1580602 0.85 POLB (0.41) ALDH1A1ESR2POLBLMNAL3MBTL1
SCHEMBL1580554 0.84 ATM (0.42) ALDH1A1
SCHEMBL641709 0.80 LMNA (0.45) NAAAALDH1A1POLBLMNAL3MBTL1
SCHEMBL485843 0.78 ALDH1A1 (0.35) NAAAALDH1A1F2R
SCHEMBL16579470 0.75 F2R (0.43) NAAAALDH1A1F2R

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 9 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-2010136137-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO 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