SCHEMBL18952976

SCHEMBL18952976

CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3CC(C)C)nc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.34
HSD11B2 P80365 3/20 0.34
ELANE P08246 1/20 0.34
TRPV4 Q9HBA0 1/20 0.31
AR P10275 2/20 0.31
EGLN2 Q96KS0 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 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
SCHEMBL18952956 0.90 ELANE (0.33) HSD11B1HSD11B2ELANEEGLN2SLC6A4
SCHEMBL30939539 0.84 ELANE (0.35) HSD11B1HSD11B2ELANETRPV4AR
SCHEMBL1979370 0.84 ELANE (0.35) HSD11B1HSD11B2ELANETRPV4AR
SCHEMBL1979096 0.83 HSD11B1 (0.38) HSD11B1HSD11B2ELANETRPV4AR
SCHEMBL30939616 0.83 HSD11B1 (0.38) HSD11B1HSD11B2ELANETRPV4AR
SCHEMBL1984809 0.83 AR (0.43) HSD11B1HSD11B2ELANETRPV4AR
SCHEMBL18952958 0.80 KDM4E (0.33) HSD11B1ELANEARSLC6A4KCNH2
SCHEMBL1979251 0.76 AR (0.35) AR
SCHEMBL1980366 0.76 AR (0.36) AR
SCHEMBL13720513 0.75 AR (0.44) HSD11B1HSD11B2AREGLN2

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