SCHEMBL300327

SCHEMBL300327

CC(c1cc(C(C)(C)C)nn1-c1cccc(Cl)n1)C(C(N)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.41
EDNRA P25101 3/20 0.39
OGA O60502 3/20 0.36
SSTR3 P32745 1/20 0.36
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL300262 0.78 EDNRA (0.42) TRPV1EDNRAOGAGALR3RAB9A
SCHEMBL288126 0.77 TRPV1 (0.66) TRPV1
SCHEMBL299802 0.69 TRPV1 (0.43) TRPV1EDNRAOGA
SCHEMBL5717640 0.62 PTGS2 (0.59) EDNRAOGA
SCHEMBL288083 0.62 TRPV1 (0.71) TRPV1
SCHEMBL5191011 0.61 MME (0.55) EDNRA
SCHEMBL108228 0.60 CYP3A4 (0.54) OGA
SCHEMBL7289763 0.60 EDNRA (0.51) EDNRARAB9A
SCHEMBL8035766 0.60 PTGS1 (0.59) OGA
Hydrochloric Acid SCHEMBL15558801 0.60 EDNRA (0.52) EDNRAOGARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed