SCHEMBL22933033

SCHEMBL22933033

CC(C)(C)OC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C#N)cc3F)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ GPR119 Q8TDV5 6/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PKM P14618 1/20 0.44
▸ GPR6 P46095 2/20 0.43
▸ MAP3K5 Q99683 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42

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
SCHEMBL22933040 0.85 GPR119 (0.53) LMNAGPR119SMN1; SMN2MAPTKMT2A
SCHEMBL22932935 0.84 GPR119 (0.48) KIF18AGPR119TRPA1
SCHEMBL22933034 0.82 PKM (0.50) LMNASMN1; SMN2MAPTMAPK1HTT
SCHEMBL29826099 0.78 GLP1R (0.53) GPR119
SCHEMBL20266356 0.78 GLP1R (0.53) GPR119
SCHEMBL22936006 0.77 KIF18A (0.57) KIF18AGPR119SMN1; SMN2HTTKMT2A
SCHEMBL355131 0.76 GPR119 (0.68) GPR119
SCHEMBL29378266 0.76 GPR119 (0.68) GPR119
SCHEMBL24574904 0.75 GLP1R (0.51) GPR119
SCHEMBL31025621 0.75 GLP1R (0.51) GPR119

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
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 — — WO disclosed
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