SCHEMBL13865722

SCHEMBL13865722

Cc1nccc2c(NC(=O)NC3CCN(c4nc(C(C)(F)F)ccc4Cl)CC3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.45
PAK1 Q13153 2/20 0.44
CNR1 P21554 2/20 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
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13865711 0.86 DRD2 (0.45) TRPV1PAK1CA12CA1CA2
SCHEMBL13865712 0.86 PAK1 (0.46) TRPV1PAK1KDM4E
SCHEMBL13865723 0.85 CCNC (0.43) TRPV1PAK1CA12CA1CA2
SCHEMBL13865724 0.85 PAK1 (0.46) TRPV1PAK1CNR1CA12CA1
SCHEMBL13865720 0.84 PAK1 (0.50) TRPV1PAK1CA12CA1CA2
SCHEMBL13865684 0.84 CYP2C9 (0.49) TRPV1PAK1KDM4E
SCHEMBL13865715 0.83 TRPV1 (0.54) TRPV1PAK1SIGMAR1KDM4E
SCHEMBL13865721 0.82 PAK1 (0.47) TRPV1PAK1CA12CA1CA2
SCHEMBL13865716 0.81 PAK1 (0.42) TRPV1PAK1CA12CA1CA2
SCHEMBL13865718 0.80 TRPV1 (0.47) TRPV1PAK1CA12CA1CA2

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