SCHEMBL3711158

SCHEMBL3711158

Cc1cccnc1N1CCN(C(=O)Nc2ccc([Si](C)(C)C)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.77
TRPA1 O75762 1/20 0.57
KCNH2 Q12809 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57

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
SCHEMBL3705471 0.87 TRPV1 (0.62) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3710357 0.87 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8
SCHEMBL14423743 0.86 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3712104 0.85 TRPV1 (0.80) TRPV1
SCHEMBL13930805 0.85 TRPV1 (0.82) TRPV1TRPA1KCNH2TRPM8
SCHEMBL6430270 0.85 TRPV1 (0.79) TRPV1
SCHEMBL3712605 0.84 TRPV1 (0.56) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3713787 0.84 PANK3 (0.76) TRPV1TRPA1KCNH2TRPM8
SCHEMBL6430235 0.81 TRPV1 (0.70) TRPV1
SCHEMBL3709637 0.81 KDM4E (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 WO disclosed