Clopidogrel

Clopidogrel

SCHEMBL5567933

COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

P2RY12

The experimentally established mechanism targets of Clopidogrel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 known ✓ Q9H244 2/20 1.00
ABCB11 O95342 4/20 1.00
OPRM1 P35372 3/20 1.00
ADRA2A P08913 2/20 1.00
CYP2B6 P20813 2/20 1.00
DRD1 P21728 2/20 1.00
CYP2C19 P33261 2/20 1.00
OPRK1 P41145 2/20 1.00
HTR2B P41595 2/20 1.00
KCNH2 Q12809 2/20 1.00
CHRM2 P08172 2/20 1.00
THRB P10828 1/20 1.00
NR1I2 O75469 1/20 1.00
HTR2A P28223 1/20 1.00
SLC6A4 P31645 1/20 1.00
CYP2C8 P10632 1/20 0.64
CES1 P23141 1/20 0.64
ADORA3 P0DMS8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43

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
Clopidogrel SCHEMBL754557 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL30388817 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL19148648 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL14009483 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL1031319 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL1031641 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL29793709 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL4769 1.00 ABCB11 (1.00) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL1130036 0.99 ABCB11 (0.98) ABCB11OPRM1ADRA2ACYP2B6DRD1
Clopidogrel SCHEMBL1402209 0.99 ABCB11 (0.98) ABCB11OPRM1ADRA2ACYP2B6DRD1

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-1758664-A2 PROCESS EMPLOYING CONTROLLED CRYSTALLIZATION IN FORMING CRYSTALS OF A PHARMACEUTICAL Bristol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2005108380-A2 PROCESS EMPLOYING CONTROLLED CRYSTALLIZATION IN FORMING CRYSTALS OF A PHARMACEUTICAL BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-17 WO disclosed