SCHEMBL4780432

SCHEMBL4780432

O=C(Nc1cccc(Br)c1C(=O)C1C2CNCC21)Nc1cccc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
SSTR4 P31391 1/20 0.48
TRPV1 Q8NER1 17/20 0.47
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3B P49841 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
LIMK1 P53667 1/20 0.46
ROCK1 Q13464 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL4779001 0.88 TRPV1 (0.49) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4780255 0.88 TRPV1 (0.54) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4778225 0.84 TRPV1 (0.50) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4778211 0.80 KDM4E (0.51) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4778939 0.80 TRPV1 (0.54) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4779265 0.80 TRPV1 (0.50) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4777140 0.80 TRPV1 (0.55) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4778078 0.78 TRPV1 (0.48) CCNE1CDK2CDK5SSTR4TRPV1
SCHEMBL4777154 0.77 TRPV1 (0.53) TRPV1
SCHEMBL4776317 0.76 TRPV1 (0.60) CCNE1CDK2CDK5TRPV1

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