SCHEMBL18952980

SCHEMBL18952980

CC[C@@H]1C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
XDH P47989 2/20 0.33
PLA2G7 Q13093 1/20 0.33
AR P10275 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
GCK P35557 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18952940 0.87 GPR119 (0.39) XDHARHRH3
SCHEMBL15536428 0.87 CHRM2 (0.34) ARHRH3
SCHEMBL19670125 0.83 PTGDR (0.37) PTGDRIRAK4XDHARHRH3
SCHEMBL1980154 0.81 IRAK4 (0.36) PTGDRIRAK4XDHARGCK
SCHEMBL18952992 0.79 MMP13 (0.39) PTGDRXDHARGCK
SCHEMBL1979251 0.78 AR (0.35) PTGDRIRAK4XDHAR
SCHEMBL1979015 0.78 AR (0.45) PTGDRXDHAR
SCHEMBL13832579 0.76 AR (0.36) PTGDRIRAK4XDHARGCK
SCHEMBL15536372 0.75 OXTR (0.36) ARHRH3
SCHEMBL23957604 0.75 PTGDR (0.34) PTGDRIRAK4XDHARHRH3

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-3386506-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN Autifony Therapeutics Limited (GB) 2018-10-17 EP disclosed
WO-2017098254-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-15 WO disclosed