SCHEMBL222025

SCHEMBL222025

CC(C)N1CCC(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.59
F2 P00734 8/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
F9 P00740 2/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
KLKB1 P03952 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37

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
SCHEMBL220656 0.91 F10 (0.59) F10F2MAPK1LMNAKMT2A
SCHEMBL219872 0.86 F10 (0.63) F10MAPK1
SCHEMBL219860 0.85 F10 (0.65) F10MAPK1LMNAKMT2A
SCHEMBL219743 0.83 F10 (0.63) F10MAPK1LMNAKMT2A
SCHEMBL221251 0.83 F10 (0.63) F10MAPK1
SCHEMBL221417 0.83 F10 (0.63) F10MAPK1
SCHEMBL221193 0.82 F10 (0.69) F10MAPK1LMNAKMT2A
SCHEMBL221616 0.81 F10 (0.60) F10F2MAPK1
SCHEMBL220475 0.81 F10 (0.67) F10MAPK1LMNAKMT2A
SCHEMBL219979 0.81 F10 (0.58) F10MAPK1LMNAKMT2A

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