SCHEMBL3408673

SCHEMBL3408673

O=C(NCCO)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 2/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
EPHX2 P34913 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.38
SCN9A Q15858 2/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 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 SCHEMBL6527164 0.99 DRD2 (0.40) DRD2DRD3HSD17B10EGFRFGFR1
SCHEMBL977614 0.90 DRD2 (0.39) DRD2DRD3EGFRFGFR1KDR
SCHEMBL3406222 0.90 SCN9A (0.47) DRD2DRD3EGFRFGFR1KDR
SCHEMBL979310 0.89 EGFR (0.39) DRD2DRD3EGFRFGFR1KDR
SCHEMBL3406077 0.89 PRMT5 (0.43) DRD2DRD3EGFRFGFR1KDR
SCHEMBL975803 0.88 EGFR (0.39) DRD2DRD3EGFRFGFR1KDR
SCHEMBL3405536 0.88 PRMT5 (0.41) DRD2DRD3HSD17B10EGFRFGFR1
SCHEMBL3427255 0.87 EGFR (0.39) EGFRFGFR1KDRCNR1LMNA
SCHEMBL3407500 0.87 EGFR (0.37) DRD2DRD3EGFRFGFR1KDR
SCHEMBL3408729 0.87 EGFR (0.40) DRD2DRD3EGFRFGFR1KDR

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