SCHEMBL13865723

SCHEMBL13865723

Cc1nccc2c(NC(=O)NC3CCN(c4ccc(Cl)c(C(C)(F)F)n4)CC3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
SMO Q99835 3/20 0.42
TRPV1 Q8NER1 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
PAK1 Q13153 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL13865716 0.87 PAK1 (0.42) CCNCCDK8TRPV1CA12CA1
SCHEMBL13865711 0.86 DRD2 (0.45) CCNCCDK8TRPV1CA12CA1
SCHEMBL13865722 0.85 TRPV1 (0.45) CCNCCDK8TRPV1CA12CA1
SCHEMBL13865713 0.84 PAK1 (0.41) CCNCCDK8TRPV1CA12CA1
SCHEMBL13865714 0.83 TRPV1 (0.43) TRPV1CA12CA1CA2CA4
SCHEMBL13865685 0.81 CLK2 (0.43) CCNCCDK8TRPV1CA12CA1
SCHEMBL13865712 0.81 PAK1 (0.46) TRPV1PAK1KDM4ETRPM8SMN1; SMN2
SCHEMBL13865719 0.80 TRPV1 (0.44) TRPV1PAK1KDM4ETRPM8
SCHEMBL13865715 0.80 TRPV1 (0.54) TRPV1PAK1KDM4ESIGMAR1TDP1
SCHEMBL13865717 0.79 PAK1 (0.46) CCNCCDK8TRPV1CA12CA1

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