SCHEMBL3885138

SCHEMBL3885138

CC(C)N1CCC(CNS(=O)(=O)CCN)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.33
F10 P00742 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NSD2 O96028 1/20 0.32
METAP2 P50579 1/20 0.31
NPY5R Q15761 1/20 0.31
ADRB3 P13945 1/20 0.30
ENPP1 P22413 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
SCHEMBL23175142 0.80 GBA1 (0.40) ALDH1A1PKMNPY5R
SCHEMBL3885136 0.79 HTR4 (0.37) HTR4F10HRH3ALDH1A1METAP2
SCHEMBL10232790 0.79 XPNPEP1 (0.36) HTR4HRH3ALDH1A1PKMMETAP2
SCHEMBL220468 0.78 F10 (0.48) F10HRH3ALDH1A1
SCHEMBL24837283 0.76 HTR4 (0.35) HTR4F10HRH3ALDH1A1PKM
SCHEMBL3363470 0.75 CYP2D6 (0.41) ALDH1A1
SCHEMBL4592502 0.73 MAOB (0.50) HTR4ALDH1A1PKMENPP1
SCHEMBL3879332 0.72 F10 (0.35) HTR4F10ALDH1A1
SCHEMBL17776662 0.70 XPNPEP1 (0.35) HTR4HRH3ALDH1A1PKMNSD2
SCHEMBL222294 0.70 F10 (0.46) F10HRH3ALDH1A1

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 3 patents. 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
EP-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed