SCHEMBL13865725

SCHEMBL13865725

COc1ccc(C(F)(F)F)c(N2CCC(NC(=O)Nc3cccc4c(C)nccc34)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
PAK1 Q13153 1/20 0.44
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.39
RBP4 P02753 1/20 0.39
KIT P10721 1/20 0.39
P2RY1 P47900 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2A1 P68400 1/20 0.38
STK3 Q13188 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL13865724 0.88 PAK1 (0.46) TRPV1PAK1KDM4EEPHX2SIGMAR1
SCHEMBL13865685 0.85 CLK2 (0.43) TRPV1PAK1KDM4EEPHX2SIGMAR1
SCHEMBL13865717 0.84 PAK1 (0.46) TRPV1PAK1KDM4ESIGMAR1
SCHEMBL13865713 0.82 PAK1 (0.41) TRPV1PAK1KDM4EP2RY1SIGMAR1
SCHEMBL13865715 0.81 TRPV1 (0.54) TRPV1PAK1KDM4EEPHX2RBP4
SCHEMBL13865716 0.80 PAK1 (0.42) TRPV1PAK1KDM4ESIGMAR1CLK2
SCHEMBL13870115 0.78 PAK1 (0.49) TRPV1PAK1KDM4EEPHX2SIGMAR1
SCHEMBL13865722 0.78 TRPV1 (0.45) TRPV1PAK1KDM4ESIGMAR1
SCHEMBL13865684 0.78 CYP2C9 (0.49) TRPV1PAK1KDM4EKIT
SCHEMBL13865719 0.78 TRPV1 (0.44) TRPV1PAK1KDM4EEPHX2KIT

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
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed