SCHEMBL18952956

SCHEMBL18952956

CC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc(C#N)cc3CC(C)C)nc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
EGLN2 Q96KS0 1/20 0.31
SLC6A4 P31645 3/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR2A P28223 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 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
SCHEMBL18952976 0.90 HSD11B1 (0.34) ELANEEGLN2SLC6A4KCNH2SLC6A3
SCHEMBL13720756 0.84 ELANE (0.34) ELANE
SCHEMBL30939559 0.84 ELANE (0.34) ELANE
SCHEMBL30939539 0.75 ELANE (0.35) ELANEHSD11B1HSD11B2
SCHEMBL1979370 0.75 ELANE (0.35) ELANEHSD11B1HSD11B2
SCHEMBL1980146 0.72 AR (0.44)
SCHEMBL1979096 0.72 HSD11B1 (0.38) ELANEHSD11B1HSD11B2
SCHEMBL30939616 0.72 HSD11B1 (0.38) ELANEHSD11B1HSD11B2
SCHEMBL1984809 0.71 AR (0.43) ELANEEGLN2SLC6A4KCNH2SLC6A3
SCHEMBL1979286 0.71 MAPT (0.32) ELANESLC6A4SLC6A3

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