SCHEMBL1031114

SCHEMBL1031114

CCCNCCOc1ccc(NS(=O)(=O)c2ccc(C(C)C(F)(F)F)cc2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.37
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR9 P51686 1/20 0.34

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 SCHEMBL4249328 0.99 TRPV1 (0.37) TRPV1EDNRBEDNRALMNATSHR
SCHEMBL1032628 0.90 CYP2C19 (0.39) TRPV1EDNRBEDNRALMNATSHR
SCHEMBL1032277 0.89 LMNA (0.35) TRPV1EDNRBEDNRALMNATSHR
SCHEMBL1031769 0.89 TRPV1 (0.36) TRPV1EDNRA
SCHEMBL4045301 0.89 LMNA (0.35) TRPV1EDNRBEDNRALMNATSHR
SCHEMBL1031352 0.89 LMNA (0.35) TRPV1EDNRBEDNRALMNATSHR
Hydrochloric Acid SCHEMBL4240630 0.89 CYP2C9 (0.39) TRPV1EDNRBEDNRALMNATSHR
Hydrochloric Acid SCHEMBL4249141 0.88 LMNA (0.35) TRPV1LMNATSHRHTTSMN1; SMN2
SCHEMBL1031793 0.88 LMNA (0.35) TRPV1EDNRBEDNRALMNATSHR
Hydrochloric Acid SCHEMBL4249120 0.88 LMNA (0.35) TRPV1LMNATSHRHTTSMN1; SMN2

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
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