SCHEMBL13865718

SCHEMBL13865718

Cc1nccc2c(NC(=O)NC3CCN(c4ncc(C(C)(F)F)cc4Br)CC3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
PAK1 Q13153 9/20 0.46
KIT P10721 1/20 0.43
PAK3 O75914 1/20 0.41
PAK2 Q13177 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL13865721 0.93 PAK1 (0.47) TRPV1TRPM8PAK1KITPAK3
SCHEMBL13865712 0.91 PAK1 (0.46) TRPV1TRPM8PAK1KITPAK3
SCHEMBL13865728 0.88 PAK1 (0.43) TRPV1TRPM8PAK1KITPAK3
SCHEMBL13865684 0.85 CYP2C9 (0.49) TRPV1TRPM8PAK1KITKDM4E
SCHEMBL13865714 0.85 TRPV1 (0.43) TRPV1TRPM8PAK1KITCA12
SCHEMBL13865715 0.83 TRPV1 (0.54) TRPV1PAK1KITEPHX2KDM4E
SCHEMBL13865711 0.81 DRD2 (0.45) TRPV1TRPM8PAK1CA12CA1
SCHEMBL13865722 0.80 TRPV1 (0.45) TRPV1PAK1CA12CA1CA2
SCHEMBL13865716 0.79 PAK1 (0.42) TRPV1TRPM8PAK1CA12CA1
SCHEMBL13870115 0.79 PAK1 (0.49) TRPV1PAK1EPHX2KDM4E

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