SCHEMBL18952940

SCHEMBL18952940

CC[C@@H]1C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)c(OCC3CC3)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.39
HRH3 Q9Y5N1 3/20 0.35
TBK1 Q9UHD2 2/20 0.35
IKBKE Q14164 1/20 0.35
XDH P47989 3/20 0.35
AR P10275 1/20 0.34
ACACB O00763 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CHEK1 O14757 1/20 0.32

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
SCHEMBL18952980 0.87 PTGDR (0.34) HRH3XDHAR
SCHEMBL15536428 0.86 CHRM2 (0.34) HRH3AR
SCHEMBL18952942 0.81 GPR119 (0.40) GPR119HRH3TBK1IKBKEXDH
SCHEMBL30939598 0.81 GPR119 (0.41) GPR119HRH3TBK1IKBKEXDH
SCHEMBL1979776 0.81 GPR119 (0.41) GPR119HRH3TBK1IKBKEXDH
SCHEMBL30939577 0.80 AR (0.43) GPR119HRH3TBK1IKBKEXDH
SCHEMBL1979888 0.80 AR (0.43) GPR119HRH3TBK1IKBKEXDH
SCHEMBL22025246 0.79 GPR119 (0.42) GPR119HRH3TBK1IKBKEXDH
SCHEMBL17354632 0.76 AR (0.46) GPR119HRH3TBK1IKBKEXDH
SCHEMBL15536372 0.75 OXTR (0.36) HRH3AR

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