SCHEMBL219936

SCHEMBL219936

CC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2ccc(Br)o2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.61
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3885080 0.83 F10 (0.53) F10CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL222420 0.80 F10 (0.78) F10ALDH1A1HPGDL3MBTL1NPSR1
SCHEMBL4592742 0.78 F10 (0.70) F10ALDH1A1
SCHEMBL220028 0.78 F10 (0.70) F10ALDH1A1
SCHEMBL219921 0.76 F10 (0.80) F10ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL219798 0.76 F10 (1.00) F10
SCHEMBL219802 0.75 F10 (0.65) F10
SCHEMBL4592816 0.75 F10 (0.65) F10L3MBTL1NPC1RAB9A
SCHEMBL221054 0.75 F10 (0.65) F10L3MBTL1NPC1RAB9A
SCHEMBL3879613 0.74 F10 (0.59) F10ALDH1A1HPGD

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