SCHEMBL18952957

SCHEMBL18952957

CC[C@@H]1C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)cc2C(C)(C)C)nc1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.31
SRC P12931 1/20 0.31
SYK P43405 1/20 0.31
MAPK12 P53778 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
MMP13 P45452 1/20 0.30
ESRRB O95718 1/20 0.30
ESR1 P03372 1/20 0.30
ESRRA P11474 1/20 0.30
ESRRG P62508 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 1/20 0.30
SSTR4 P31391 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL15536372 0.88 OXTR (0.36) HRH3TRPV4MMP13ESRRAHSD11B1
SCHEMBL1979583 0.80 ELANE (0.33) ROCK2SRCSYKMAPK12HSD11B1
SCHEMBL19805319 0.80 SRC (0.31) SRCSYKMAPK12TRPV4ESRRB
SCHEMBL18952974 0.80 MMP13 (0.33) ROCK2SRCSYKMAPK12TRPV4
SCHEMBL29437994 0.80 ELANE (0.33) ROCK2SRCSYKMAPK12HSD11B1
SCHEMBL18952970 0.78 AR (0.36) SRCSYKMAPK12TRPV4MMP13
SCHEMBL1979370 0.78 ELANE (0.35) TRPV4ESRRBESR1ESRRAESRRG
SCHEMBL30939539 0.78 ELANE (0.35) TRPV4ESRRBESR1ESRRAESRRG
SCHEMBL1979175 0.77 AR (0.44) SRCSYKMAPK12ESRRBESR1
SCHEMBL19011617 0.76 AR (0.35) ROCK2SRCSYKMAPK12HRH3

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