SCHEMBL4592816

SCHEMBL4592816

CC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2cccc(Cl)c2)CC1.CC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.65
CHRM1 P11229 2/20 0.47
CHRM5 P08912 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM5A P29375 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CCR2 P41597 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43

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
SCHEMBL221054 1.00 F10 (0.65) F10CHRM1CHRM5L3MBTL1KDM5A
SCHEMBL4592742 0.88 F10 (0.70) F10
SCHEMBL220028 0.88 F10 (0.70) F10
SCHEMBL219802 0.80 F10 (0.65) F10
SCHEMBL219798 0.79 F10 (1.00) F10
SCHEMBL219921 0.76 F10 (0.80) F10L3MBTL1NPC1RAB9A
SCHEMBL222420 0.75 F10 (0.78) F10L3MBTL1NPC1RAB9A
SCHEMBL219936 0.75 F10 (0.61) F10L3MBTL1NPC1RAB9A
Fumaric Acid SCHEMBL221972 0.74 F10 (0.89) F10
SCHEMBL220661 0.73 F10 (0.89) F10

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-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed