SCHEMBL28974034

SCHEMBL28974034

CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)cn2)CC1c1ccc(C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
USP30 Q70CQ3 1/20 0.42
AR P10275 1/20 0.41
EGLN2 Q96KS0 2/20 0.40
FASN P49327 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
HSD11B1 P28845 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL30280973 0.90 GPR119 (0.41) GPR119USP30AREGLN2IRAK4
SCHEMBL30280873 0.90 GPR119 (0.41) GPR119USP30AREGLN2IRAK4
SCHEMBL30280675 0.86 GPR119 (0.43) GPR119USP30AREGLN2IRAK4
SCHEMBL29008821 0.84 MEN1 (0.42) USP30
SCHEMBL30280956 0.84 GPR119 (0.55) GPR119USP30EGLN2FASNIRAK4
SCHEMBL5468493 0.84 GPR119 (0.55) GPR119USP30EGLN2FASNIRAK4
SCHEMBL31464983 0.81 GPR119 (0.40) GPR119AREGLN2
SCHEMBL6912568 0.79 USP30 (0.52) GPR119USP30AREGLN2FASN
SCHEMBL30339030 0.77 GPR119 (0.41) GPR119USP30EGLN2IRAK4
SCHEMBL29048236 0.77 GPR119 (0.41) GPR119USP30EGLN2IRAK4

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed