SCHEMBL6430735

SCHEMBL6430735

NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.66
CA1 P00915 12/20 0.66
CA2 P00918 12/20 0.66
CA4 P22748 12/20 0.66
CA7 P43166 12/20 0.66
CA9 Q16790 12/20 0.66
TRPV1 Q8NER1 8/20 0.66
TRPM8 Q7Z2W7 1/20 0.65
KDM4E B2RXH2 1/20 0.65
ABL1 P00519 1/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 2/20 0.62
HSD11B1 P28845 1/20 0.58
MEN1 O00255 1/20 0.57
S100A4 P26447 1/20 0.55
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54

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
SCHEMBL3263316 1.00 CA12 (0.66) CA12CA1CA2CA4CA7
SCHEMBL5575433 0.89 TRPV1 (0.66) CA12CA1CA2CA4CA7
SCHEMBL6864670 0.88 KMT2A (0.68) CA12CA1CA2CA4CA7
SCHEMBL6576549 0.88 KMT2A (0.68) CA12CA1CA2CA4CA7
SCHEMBL1351080 0.83 SYK (0.63) CA12CA1CA2CA4CA7
SCHEMBL1351078 0.83 SYK (0.63) CA12CA1CA2CA4CA7
SCHEMBL2000948 0.81 KDM4E (0.65) CA12CA1CA2CA4CA7
SCHEMBL13211953 0.81 TRPV1 (0.56) CA12CA1CA2CA4CA7
SCHEMBL13005148 0.81 TRPV1 (0.57) CA12CA1CA2CA4CA7
SCHEMBL26701268 0.80 TRPV1 (0.81) CA12CA1CA2CA4CA7

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
EP-1572237-A1 COMBINATIONS OF VANILLOID ANTAGONIST AND NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-09-14 EP disclosed
WO-2004056394-A1 COMBINATIONS OF A VANILLOID ANTAGONIST AND AN NSAID FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed