SCHEMBL18952978

SCHEMBL18952978

CC[C@]1(C)C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)c(C3CC3)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.40
SLC22A12 Q96S37 1/20 0.38
HRH3 Q9Y5N1 7/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
HRH1 P35367 1/20 0.33
RET P07949 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL18952954 0.91 MMP13 (0.42) MMP13SLC22A12HRH3HRH1AR
SCHEMBL18952965 0.85 MMP13 (0.38) MMP13SLC22A12HRH3RET
SCHEMBL18952943 0.84 PTGDR2 (0.37) MMP13HRH3AR
SCHEMBL1984305 0.82 SLC22A12 (0.37) MMP13SLC22A12HRH3FNTAFNTB
SCHEMBL30939605 0.82 SLC22A12 (0.37) MMP13SLC22A12HRH3FNTAFNTB
SCHEMBL1978546 0.81 AR (0.46) MMP13SLC22A12HRH3HRH1AR
SCHEMBL30939663 0.81 AR (0.46) MMP13SLC22A12HRH3HRH1AR
SCHEMBL18952979 0.79 MMP13 (0.41) MMP13AR
SCHEMBL1980470 0.78 SLC22A12 (0.36) MMP13SLC22A12HRH3HRH1RET
SCHEMBL18952942 0.78 GPR119 (0.40) MMP13HRH3

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