SCHEMBL219755

SCHEMBL219755

O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMO Q99835 1/20 0.39
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LSS P48449 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
SCHEMBL221237 0.80 ACHE (0.42) KDM1ATSHRALDH1A1ACHE
SCHEMBL219902 0.78 KDM1A (0.42) KDM1AMAOBTSHRSMOLSS
SCHEMBL222333 0.78 MAOB (0.52) HTR1AKDM1AMAOBALDH1A1ACHE
SCHEMBL2517968 0.73 HTR1A (0.66) HTR1A
SCHEMBL19739574 0.72 HPGD (0.56) HTR1AALDH1A1ACHE
SCHEMBL3871671 0.72 ITGB3 (0.44) KDM1AMAOBLSS
SCHEMBL4457921 0.71 HPGD (0.60) HTR1AALDH1A1L3MBTL1ACHESMN1; SMN2
SCHEMBL16528120 0.70 MAPK1 (0.46) ALDH1A1HSD17B10ACHESMN1; SMN2
SCHEMBL3439989 0.70 L3MBTL1 (0.47) KDM1AMAOBALDH1A1L3MBTL1ACHE
SCHEMBL221271 0.68 F10 (0.68)

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
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
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