SCHEMBL30939616

SCHEMBL30939616

CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.38
HSD11B2 P80365 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PTH1R Q03431 2/20 0.34
ELANE P08246 1/20 0.34
CYP11B2 P19099 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PDE5A O76074 2/20 0.33
AR P10275 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
IP6K1 Q92551 1/20 0.32
EZH2 Q15910 1/20 0.32

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
SCHEMBL1979096 1.00 HSD11B1 (0.38) HSD11B1HSD11B2PTGDR2PTH1RELANE
SCHEMBL30939574 0.89 AR (0.41) HSD11B1HSD11B2PTGDR2PTH1RCYP11B2
SCHEMBL1979977 0.89 AR (0.41) HSD11B1HSD11B2PTGDR2PTH1RCYP11B2
SCHEMBL1979370 0.84 ELANE (0.35) HSD11B1HSD11B2ELANEARTRPV4
SCHEMBL30939539 0.84 ELANE (0.35) HSD11B1HSD11B2ELANEARTRPV4
SCHEMBL30939605 0.83 SLC22A12 (0.37) HSD11B1HSD11B2ARHRH3
SCHEMBL1984305 0.83 SLC22A12 (0.37) HSD11B1HSD11B2ARHRH3
SCHEMBL18952976 0.83 HSD11B1 (0.34) HSD11B1HSD11B2ELANEARTRPV4
SCHEMBL22026251 0.82 GRIN1 (0.34) HSD11B1HSD11B2PTH1RELANECYP11B2
SCHEMBL18952943 0.82 PTGDR2 (0.37) HSD11B1HSD11B2PTGDR2PTH1RCYP11B2

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
CN-118267386-A Modulators of KV3 channels for the treatment of pain 奥提芙尼治疗学有限公司 2024-07-02 CN disclosed
CN-108472288-B Modulators of KV3 channels for the treatment of pain 奥提芙尼治疗学有限公司 2024-05-28 CN disclosed