SCHEMBL29945877

SCHEMBL29945877

CC(C)(C)OC(=O)N1CCC(n2ccc(OCc3ccc(Cl)cc3F)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
DPP4 P27487 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP3A5 P20815 2/20 0.43
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 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
SCHEMBL29946041 0.91 GPR119 (0.45) GPR119DPP4BTKTP53MAPT
SCHEMBL24265672 0.87 GPR119 (0.49) GPR119DPP4BTK
SCHEMBL29574130 0.87 GPR119 (0.49) GPR119DPP4BTK
SCHEMBL29945968 0.87 GPR119 (0.44) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29946028 0.86 CYP3A4 (0.45) GPR119DPP4CYP3A4CYP3A5CACNB4
SCHEMBL29946016 0.85 GPR119 (0.46) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29945820 0.83 MAPT (0.46) GPR119DPP4CYP3A4CYP3A5CACNB4
SCHEMBL29946022 0.83 NR3C1 (0.44) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29945914 0.82 GPR119 (0.44) GPR119
SCHEMBL31670786 0.82 GLP1R (0.46) DPP4CYP3A4CYP3A5USP30CNR1

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-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed