SCHEMBL30745378

SCHEMBL30745378

CC(C)(C)OC(=O)N1CCC1Oc1ccnc(COc2ccc(Cl)cc2C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ RET P07949 2/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ GPR119 Q8TDV5 5/20 0.36
▸ TBK1 Q9UHD2 4/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL30053042 0.85 CACNB4 (0.40) SCN9ALNPEPXDHGPR119TBK1
SCHEMBL24791773 0.85 CACNB4 (0.40) SCN9ALNPEPXDHGPR119TBK1
SCHEMBL29825999 0.83 LNPEP (0.37) SCN9ALNPEPGPR119TBK1
SCHEMBL30740733 0.81 ALDH1A1 (0.41) GRM5ALDH1A1
SCHEMBL30740794 0.81 ALDH1A1 (0.40) GRM5ALDH1A1
SCHEMBL30740746 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL30745372 0.79 LNPEP (0.39) GRM5LNPEPGPR119
SCHEMBL30740829 0.77 LMNA (0.46) ALDH1A1
SCHEMBL27477980 0.76 USP30 (0.38) SCN9AGRM5LNPEPALDH1A1GPR119
SCHEMBL29826215 0.75 CYP2C9 (0.44) LNPEPGPR119

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 — — CN disclosed
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