SCHEMBL3901210

SCHEMBL3901210

CC1CN(CC(=O)O)[C@H](c2ccccc2Cl)c2ccsc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A9 P48067 12/20 0.41
RXFP1 Q9HBX9 1/20 0.36
FDFT1 P37268 2/20 0.36
DRD1 P21728 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL15937933 1.00 KDM4E (0.46) KDM4ENPSR1SLC6A9RXFP1FDFT1
Bromide SCHEMBL5236979 0.99 KDM4E (0.46) KDM4ENPSR1SLC6A9RXFP1FDFT1
Bromide SCHEMBL5238372 0.98 KDM4E (0.45) KDM4ENPSR1SLC6A9RXFP1FDFT1
SCHEMBL1499083 0.91 KDM4E (0.46) KDM4ENPSR1SLC6A9RXFP1FDFT1
Water SCHEMBL5230889 0.88 KDM4E (0.38) KDM4ENPSR1SLC6A9RXFP1FDFT1
Acetonitrile SCHEMBL5226956 0.85 KDM4E (0.36) KDM4ENPSR1SLC6A9RXFP1FDFT1
SCHEMBL1499097 0.78 HHAT (0.48) KDM4ENPSR1DRD1
SCHEMBL5439863 0.78 HHAT (0.48) KDM4ENPSR1DRD1
SCHEMBL4018143 0.78 HHAT (0.48) KDM4ENPSR1DRD1
Bromide SCHEMBL4019730 0.77 HHAT (0.47) KDM4ENPSR1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121704-A2 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-11-25 EP disclosed
WO-2008108742-A3 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2009-05-14 WO disclosed
WO-2008108742-A2 POLYMORPHIC FORMS OF CLOPIDOGREL HYDROBROMIDE KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-09-12 WO disclosed
EP-1756116-A1 POLYMORPHIC FORMS OF METHYL(+)-(S)-ALPHA-(2-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H) ACETATE HYDROBROMIDE, CLOPIDROGEL HYDROBROMIDE Sanofi-Aventis (FR) 2007-02-28 EP disclosed
EP-1740594-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF Sanofi-Aventis (FR) 2007-01-10 EP disclosed
EP-1674468-A1 Polymorphs of clopidogrel hydrobromide Ratiopharm GmbH (DE) 2006-06-28 EP disclosed
WO-2005103058-A1 POLYMORPHIC FORMS OF METHYL (+) - (S) -ALPHA- (2-CHLOROPHENYL) -6, 7-DIHYDROTHIENO `3,2-C!PYRIDINE-584H) ACETATE HYDROBROMIDE, CLOPIDROGEL HYDROBROMIDE SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed
WO-2005103059-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed