SCHEMBL4778078

SCHEMBL4778078

O=C(Nc1ccc(Br)c(C2C3CNCC32)n1)Nc1cccc2cnccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.48
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
LIMK1 P53667 1/20 0.45
ROCK1 Q13464 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SSTR4 P31391 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
SCHEMBL4776317 0.79 TRPV1 (0.60) TRPV1CCNE1CDK2CDK5
SCHEMBL4780432 0.78 CCNE1 (0.49) TRPV1CCNE1CDK2CDK5CHEK1
SCHEMBL4777140 0.78 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5SSTR4
SCHEMBL4779521 0.76 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5SSTR4
Hydrochloric Acid SCHEMBL4780347 0.76 TRPV1 (0.58) TRPV1CCNE1CDK2CDK5
SCHEMBL4778225 0.75 TRPV1 (0.50) TRPV1CCNE1CDK2CDK5CHEK1
SCHEMBL4777937 0.75 TRPV1 (0.58) TRPV1CCNE1CDK2CDK5
SCHEMBL4778200 0.75 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5
SCHEMBL5660097 0.75 TRPV1 (0.71) TRPV1CCNE1CDK2CDK5
SCHEMBL4777153 0.74 TRPV1 (0.51) 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