SCHEMBL223223

SCHEMBL223223

CC(C)N1CCC(NS(=O)(=O)CCCCl)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
HTR1A P08908 5/20 0.33
HTR7 P34969 5/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 1/20 0.31
SMO Q99835 4/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CYP2D6 P10635 1/20 0.31
IDH1 O75874 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CG P48736 1/20 0.30

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 SCHEMBL221304 0.98 F10 (0.48) F10HTR1AHTR7ALDH1A1KDM1A
SCHEMBL222294 0.85 F10 (0.46) F10HTR1AHTR7ALDH1A1KDM1A
SCHEMBL13102745 0.83 F10 (0.49) F10HTR1AHTR7ALDH1A1KDM1A
SCHEMBL220468 0.81 F10 (0.48) F10HTR1AHTR7ALDH1A1KDM1A
SCHEMBL10218749 0.80 F10 (0.46) F10HTR1AHTR7ALDH1A1KDM1A
SCHEMBL2577442 0.80 CA12 (0.42)
SCHEMBL14501014 0.79 F10 (0.32) F10SMOCNR1CNR2
SCHEMBL3872404 0.77 F10 (0.50) F10ALDH1A1HRH3CYP2D6
SCHEMBL220476 0.74 F10 (0.45) F10HTR1AHTR7ALDH1A1KDM1A
SCHEMBL19176641 0.74 F10 (0.42) F10HTR1AALDH1A1HRH3

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