SCHEMBL222823

SCHEMBL222823

CC(C)N1CCC(N(c2ccccn2)S(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.59
HPGD P15428 1/20 0.43
OPRM1 P35372 3/20 0.42
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL222531 0.84 F10 (0.60) F10TSHRMAPK1
SCHEMBL222211 0.84 F10 (0.58) F10MAPK1F2
SCHEMBL221193 0.82 F10 (0.69) F10MAPK1KMT2A
SCHEMBL222611 0.82 F10 (0.66) F10TSHRMAPK1
SCHEMBL220475 0.81 F10 (0.67) F10TSHRMAPK1KMT2A
SCHEMBL2737094 0.80 F10 (0.63) F10MAPK1KMT2A
SCHEMBL219860 0.79 F10 (0.65) F10TSHRMAPK1KMT2A
SCHEMBL221616 0.79 F10 (0.60) F10MAPK1F2
SCHEMBL219979 0.79 F10 (0.58) F10HPGDALDH1A1TSHRMAPK1
SCHEMBL221782 0.78 F10 (0.57) F10MAPK1

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
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 US disclosed