SCHEMBL5228846

SCHEMBL5228846

CC1CN(CC(=O)O)[C@H](c2ccccc2Cl)c2ccsc21.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SLC6A9 P48067 9/20 0.34
FDFT1 P37268 2/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
DRD1 P21728 1/20 0.31

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
Acetonitrile SCHEMBL5226956 0.96 KDM4E (0.36) KDM4ENPSR1CYP1A2RXFP1SLC6A9
SCHEMBL3901210 0.89 KDM4E (0.46) KDM4ENPSR1RXFP1SLC6A9FDFT1
SCHEMBL15937933 0.89 KDM4E (0.46) KDM4ENPSR1RXFP1SLC6A9FDFT1
Bromide SCHEMBL5236979 0.88 KDM4E (0.46) KDM4ENPSR1RXFP1SLC6A9FDFT1
Bromide SCHEMBL5238372 0.87 KDM4E (0.45) KDM4ENPSR1RXFP1SLC6A9FDFT1
Water SCHEMBL5231972 0.82 HHAT (0.39) KDM4ENPSR1CYP1A2LMNACYP2D6
SCHEMBL1499083 0.81 KDM4E (0.46) KDM4ENPSR1RXFP1SLC6A9FDFT1
Sulfuric Acid SCHEMBL6377500 0.71 TSHR (0.34) KDM4ENPSR1LMNADRD1
SCHEMBL4018143 0.69 HHAT (0.48) KDM4ENPSR1DRD1
SCHEMBL5439863 0.69 HHAT (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740594-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF Sanofi-Aventis (FR) 2007-01-10 EP claimed
WO-2005103059-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO claimed
EP-1740594-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF Sanofi-Aventis (FR) 2007-01-10 EP disclosed
WO-2005103059-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed