SCHEMBL6500658

SCHEMBL6500658

CCC(=O)Oc1ccc(N2CCc3sccc3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.45
ABCB11 O95342 3/20 0.41
ADRA2A P08913 2/20 0.41
CYP2B6 P20813 2/20 0.41
DRD1 P21728 2/20 0.41
CYP2C19 P33261 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 2/20 0.41
THRB P10828 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
P2RY12 Q9H244 1/20 0.41
EGFR P00533 3/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
Hydrochloric Acid SCHEMBL6659698 0.74 NPSR1 (0.45) ABCB11ADRA2ACYP2B6DRD1CYP2C19
SCHEMBL9471220 0.72 MAPT (0.37) MAPTRAB9AALDH1A1ALOX15SMN1; SMN2
SCHEMBL27597677 0.69 ABCB11 (0.56) ABCB11ADRA2ACYP2B6DRD1CYP2C19
Hydrochloric Acid SCHEMBL6635562 0.68 MAPK1 (0.57) ABCB11ADRA2ACYP2B6DRD1CYP2C19
SCHEMBL27635008 0.67 ABCB11 (0.54) ABCB11ADRA2ACYP2B6DRD1CYP2C19
Hydrochloric Acid SCHEMBL27666357 0.67 KDM4E (0.55) ABCB11ADRA2ACYP2B6DRD1CYP2C19
SCHEMBL18415538 0.67 KCNQ2 (0.48) KCNQ2ABCB11ADRA2ACYP2B6DRD1
SCHEMBL21676356 0.66 KDM4E (0.43) KCNQ2ABCB11ADRA2ACYP2B6DRD1
SCHEMBL1678635 0.66 L3MBTL1 (0.55) CYP2C19MAPTRAB9AALDH1A1ALOX15
SCHEMBL9799896 0.66 L3MBTL1 (0.55) CYP2C19MAPTRAB9AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108665-A2 A PROCESS FOR PREPARATION OF CLOPIDOGREL SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-12-16 WO claimed
WO-2004108665-A3 A PROCESS FOR PREPARATION OF CLOPIDOGREL SUN PHARMACEUTICAL IND LTD (IN) 2005-03-24 WO disclosed
WO-2004108665-A2 A PROCESS FOR PREPARATION OF CLOPIDOGREL SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-12-16 WO disclosed
WO-2004108665-A2 A PROCESS FOR PREPARATION OF CLOPIDOGREL SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-12-16 WO disclosed