SCHEMBL13865728

SCHEMBL13865728

Cc1nccc2c(NC(=O)NC3CCN(c4ncc(C(C)(F)F)cc4-c4ccc(F)cc4)CC3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 7/20 0.43
TRPV1 Q8NER1 4/20 0.43
KIT P10721 1/20 0.40
CNR1 P21554 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
GCK P35557 1/20 0.38
PAK3 O75914 1/20 0.38
PAK2 Q13177 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 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
SCHEMBL13865721 0.89 PAK1 (0.47) PAK1TRPV1KITTRPM8PAK3
SCHEMBL13865718 0.88 TRPV1 (0.47) PAK1TRPV1KITTRPM8PAK3
SCHEMBL13865712 0.87 PAK1 (0.46) PAK1TRPV1KITTRPM8PAK3
SCHEMBL13865684 0.81 CYP2C9 (0.49) PAK1TRPV1KITTRPM8MAPT
SCHEMBL13865714 0.81 TRPV1 (0.43) PAK1TRPV1KITTRPM8
SCHEMBL13865715 0.79 TRPV1 (0.54) PAK1TRPV1KIT
SCHEMBL13865711 0.78 DRD2 (0.45) PAK1TRPV1TRPM8
SCHEMBL13865722 0.77 TRPV1 (0.45) PAK1TRPV1CNR1
SCHEMBL13865716 0.75 PAK1 (0.42) PAK1TRPV1TRPM8
SCHEMBL13870115 0.75 PAK1 (0.49) PAK1TRPV1CCNE1CDK2

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