SCHEMBL18952965

SCHEMBL18952965

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.38
SLC22A12 Q96S37 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM5A P29375 1/20 0.31
RET P07949 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
SCHEMBL15536746 0.90 MMP13 (0.41) MMP13SLC22A12HRH3NPBWR1MCHR1
SCHEMBL18952978 0.85 MMP13 (0.40) MMP13SLC22A12HRH3RET
SCHEMBL1980366 0.81 AR (0.36) MMP13SLC22A12NPBWR1MCHR1
SCHEMBL1982561 0.80 AR (0.47) MMP13SLC22A12
SCHEMBL19805335 0.79 HRH3 (0.32) MMP13SLC22A12HRH3NPBWR1MCHR1
SCHEMBL18952979 0.79 MMP13 (0.41) MMP13
SCHEMBL12594113 0.78 AR (0.38) MMP13SLC22A12NPBWR1MCHR1
SCHEMBL18952992 0.77 MMP13 (0.39) MMP13
SCHEMBL1981227 0.76 ALDH1A1 (0.37) SLC22A12HRH3NPBWR1MCHR1KDM5A
SCHEMBL29384188 0.76 ALDH1A1 (0.37) SLC22A12HRH3NPBWR1MCHR1KDM5A

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