SCHEMBL1031769

SCHEMBL1031769

CCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.36
EDNRA P25101 1/20 0.33

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 SCHEMBL4246569 0.99 TRPV1 (0.36) TRPV1EDNRA
SCHEMBL1033623 0.89 CYP2C19 (0.39) TRPV1
SCHEMBL1031114 0.89 TRPV1 (0.37) TRPV1EDNRA
SCHEMBL1027372 0.89 TRPV1 (0.35) TRPV1EDNRA
SCHEMBL4054899 0.89 TRPV1 (0.35) TRPV1EDNRA
SCHEMBL1029637 0.89 TRPV1 (0.35) TRPV1EDNRA
Hydrochloric Acid SCHEMBL4245236 0.88 CYP2C19 (0.38) TRPV1
Hydrochloric Acid SCHEMBL4249328 0.88 TRPV1 (0.37) TRPV1EDNRA
Hydrochloric Acid SCHEMBL4248076 0.88 TRPV1 (0.35) TRPV1EDNRA
Hydrochloric Acid SCHEMBL4252555 0.88 TRPV1 (0.35) TRPV1EDNRA

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-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP disclosed
EP-2013179-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-01-14 EP disclosed
WO-2007118859-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed