SCHEMBL4620657

SCHEMBL4620657

CC(C)(C)C1CCC2(CC1)CC(OC(=O)Nc1ccc(NS(C)(=O)=O)c(F)c1)=NO2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.40
OPRM1 P35372 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL4619905 0.88 GPR119 (0.34) TRPV1GPR119
SCHEMBL2206230 0.85 GPR119 (0.44) TRPV1OPRM1GPR119
SCHEMBL4619379 0.80 GPR119 (0.34) GPR119
SCHEMBL4619951 0.79 EPHX2 (0.41) TRPV1
SCHEMBL4620004 0.79 EPHX2 (0.41) TRPV1
SCHEMBL4619894 0.79 FAAH (0.39)
SCHEMBL2204894 0.78 GPR119 (0.42) TRPV1GPR119
SCHEMBL4346000 0.77 GPR119 (0.41) TRPV1OPRM1GPR119
SCHEMBL4621118 0.76 TRPV1 (0.46) TRPV1
SCHEMBL2207528 0.75 TRPV1 (0.47) TRPV1

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-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO disclosed