SCHEMBL4779566

SCHEMBL4779566

O=C(Nc1cccc2cnccc12)NC1C2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CC21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.50
EPHX2 P34913 1/20 0.48
CNR1 P21554 1/20 0.45
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
SCHEMBL4781101 0.91 EPHX2 (0.51) TRPV1EPHX2CNR1
SCHEMBL4776335 0.88 TRPV1 (0.53) TRPV1EPHX2
SCHEMBL4779435 0.86 EPHX2 (0.51) TRPV1EPHX2CNR1
SCHEMBL4779491 0.86 TRPV1 (0.51) TRPV1EPHX2CCNE1CDK2CDK5
SCHEMBL4774265 0.84 TRPV1 (0.52) TRPV1EPHX2CNR1CCNE1CDK2
SCHEMBL4779427 0.84 EPHX2 (0.51) TRPV1EPHX2CNR1CCNE1CDK2
SCHEMBL4780962 0.83 KDM4E (0.47) TRPV1EPHX2CNR1
SCHEMBL4778063 0.83 CHRM1 (0.48) TRPV1EPHX2CNR1
SCHEMBL4778894 0.81 EPHX2 (0.49) TRPV1EPHX2CNR1CCNE1CDK2
SCHEMBL4780244 0.81 TRPV1 (0.50) TRPV1CCNE1CDK2CDK5

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-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