SCHEMBL3408675

SCHEMBL3408675

CS(=O)(=O)N(c1cccc(C(=O)NCCO)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
F2 P00734 2/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 SCHEMBL6519318 0.99 DRD2 (0.39) DRD2DRD3HSD17B10CNR1CNR2
SCHEMBL3406225 0.91 SCN9A (0.41) DRD2DRD3ALOX5EPHX2KDM4E
SCHEMBL977615 0.91 ALOX5 (0.39) DRD2DRD3F2CACNA2D1CACNA1B
SCHEMBL3661726 0.90 CCR2 (0.39) DRD2DRD3F2CACNA2D1CACNA1B
SCHEMBL979308 0.89 CACNA2D1 (0.41) DRD2DRD3F2CACNA2D1CACNA1B
SCHEMBL3406082 0.89 MEN1 (0.38) DRD2DRD3F2CACNA2D1CACNA1B
SCHEMBL3405538 0.89 CTSD (0.39) DRD2DRD3HSD17B10F2CACNA2D1
SCHEMBL975805 0.89 CACNA2D1 (0.38) DRD2DRD3F2CACNA2D1CACNA1B
SCHEMBL1989675 0.88 NPC1 (0.37) DRD2DRD3CNR1CNR2F2
SCHEMBL3408730 0.88 DDR1 (0.36) DRD2DRD3F2CACNA2D1CACNA1B

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-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed