SCHEMBL4780244

SCHEMBL4780244

O=C(Nc1cccc2cnccc12)NC1C2CN(C(=O)c3ccccc3Cl)CC21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.50
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL4778989 0.89 KDM4E (0.49) TRPV1CCNE1CDK2CDK5
SCHEMBL4780425 0.89 TRPV1 (0.49) TRPV1CCNE1CDK2CDK5
SCHEMBL4778931 0.85 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5
SCHEMBL4778207 0.82 TRPV1 (0.49) TRPV1CCNE1CDK2CDK5
SCHEMBL4778224 0.82 TRPV1 (0.53) TRPV1CCNE1CDK2CDK5
SCHEMBL4774396 0.82 TRPV1 (0.49) TRPV1CCNE1CDK2CDK5
SCHEMBL4781101 0.81 EPHX2 (0.51) TRPV1
SCHEMBL4779566 0.81 TRPV1 (0.50) TRPV1CCNE1CDK2CDK5
SCHEMBL4777147 0.80 TRPV1 (0.52) TRPV1
SCHEMBL4779260 0.80 TRPV1 (0.52) 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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed