SCHEMBL4777140

SCHEMBL4777140

O=C(Nc1cccc2cnccc12)NC1C2CNCC21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.55
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK5 Q00535 1/20 0.52
SSTR4 P31391 1/20 0.51
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4776317 0.82 TRPV1 (0.60) TRPV1CCNE1CDK2CDK5
SCHEMBL5660097 0.81 TRPV1 (0.71) TRPV1CCNE1CDK2CDK5
SCHEMBL1351616 0.81 PRKCZ (0.70) TRPV1CCNE1CDK2CDK5
SCHEMBL4776314 0.81 TRPV1 (0.56) TRPV1
SCHEMBL14860966 0.80 EPHX1 (0.70) TRPV1CCNE1CDK2CDK5
SCHEMBL4780255 0.80 TRPV1 (0.54) TRPV1CCNE1CDK2CDK5SSTR4
SCHEMBL4780432 0.80 CCNE1 (0.49) TRPV1CCNE1CDK2CDK5SSTR4
SCHEMBL4779001 0.80 TRPV1 (0.49) TRPV1CCNE1CDK2CDK5SSTR4
SCHEMBL13595613 0.79 EPHX1 (0.72) TRPV1CCNE1CDK2CDK5
Hydrochloric Acid SCHEMBL4780347 0.79 TRPV1 (0.58) TRPV1CCNE1CDK2CDK5CYP3A4

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 disclosed