SCHEMBL30280998

SCHEMBL30280998

CC(C)(C)OC(=O)N1CCC(O)CC1c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.47
AR P10275 1/20 0.47
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
USP5 P45974 1/20 0.37
USP14 P54578 1/20 0.37
USP7 Q93009 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
NSD2 O96028 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
RIPK1 Q13546 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL30280955 0.93 GPR119 (0.46) GPR119ARJAK2JAK3PTK2
SCHEMBL21001077 0.89 GPR119 (0.52) GPR119ARJAK2JAK3PTK2
SCHEMBL30280984 0.88 GPR119 (0.47) GPR119ARJAK2JAK3PTK2
SCHEMBL31421008 0.85 GPR119 (0.51) GPR119ARRIPK1
SCHEMBL29148949 0.84 GPR119 (0.44) GPR119ARJAK2JAK3PTK2
SCHEMBL12979900 0.84 MEN1 (0.43) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL2708229 0.84 MEN1 (0.43) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL28070981 0.84 NR1H2 (0.50) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL2708227 0.84 MEN1 (0.43) CHRM2CHRM1CHRM3NR1H2NR1H3
SCHEMBL28070953 0.84 GPR119 (0.50) GPR119ARJAK2JAK3PTK2

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