SCHEMBL22764719

SCHEMBL22764719

COC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.48
▸ YAP1 P46937 2/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ USP30 Q70CQ3 3/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ STS P08842 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41

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
SCHEMBL31291039 1.00 GPR119 (0.48) GPR119YAP1DPP4USP30MMP9
SCHEMBL22765041 1.00 GPR119 (0.48) GPR119YAP1DPP4USP30MMP9
SCHEMBL31598977 1.00 GPR119 (0.48) GPR119YAP1DPP4USP30MMP9
SCHEMBL29508681 1.00 GPR119 (0.48) GPR119YAP1DPP4USP30MMP9
SCHEMBL31589249 0.94 GPR119 (0.47) GPR119YAP1DPP4USP30MMP9
SCHEMBL22764958 0.94 GPR119 (0.47) GPR119YAP1DPP4USP30MMP9
SCHEMBL31588908 0.94 GPR119 (0.47) GPR119YAP1DPP4USP30MMP9
SCHEMBL31291046 0.94 GPR119 (0.47) GPR119YAP1DPP4USP30MMP9
SCHEMBL31588998 0.94 GPR119 (0.47) GPR119YAP1DPP4USP30MMP9
SCHEMBL31588516 0.94 GPR119 (0.47) GPR119YAP1DPP4USP30MMP9

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-118974013-A Pyrrolidine compounds 伊莱利利公司 2024-11-15 — — CN disclosed
WO-2020247429-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2020-12-10 — — WO disclosed
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