SCHEMBL3879178

SCHEMBL3879178

Cc1ccc(OC(=O)NCCS(=O)(=O)NC2CCN(C(C)C)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.60
HRH3 Q9Y5N1 6/20 0.37
ALDH1A1 P00352 1/20 0.35
ACKR3 P25106 1/20 0.34
SLC5A7 Q9GZV3 1/20 0.33

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
SCHEMBL3879613 0.89 F10 (0.59) F10HRH3ALDH1A1
SCHEMBL3873911 0.89 F10 (0.72) F10
SCHEMBL219921 0.84 F10 (0.80) F10HRH3ALDH1A1
SCHEMBL3873832 0.83 F10 (0.65) F10
SCHEMBL3872859 0.79 F10 (0.58) F10
SCHEMBL3885080 0.78 F10 (0.53) F10HRH3ALDH1A1
SCHEMBL3873687 0.77 F10 (0.56) F10HRH3
SCHEMBL3921640 0.75 F10 (0.53) F10HRH3ALDH1A1
SCHEMBL222420 0.75 F10 (0.78) F10ALDH1A1ACKR3
SCHEMBL219798 0.75 F10 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888567-B1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS (FR) 2009-12-16 EP claimed