SCHEMBL25960195

SCHEMBL25960195

CC(C)(C)OC(=O)N1CC[C@H]([C@H](Cc2cc(Br)cc(OC(F)(F)F)c2)C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.44
▸ GPR119 Q8TDV5 5/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ YAP1 P46937 1/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL31599026 1.00 DPP4 (0.44) DPP4GPR119IDO1TDO2USP30
SCHEMBL31588855 0.90 DPP4 (0.44) DPP4GPR119IDO1TDO2USP30
SCHEMBL31598989 0.87 TACR1 (0.48) DPP4GPR119IDO1TDO2USP30
SCHEMBL30543781 0.87 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL25185295 0.87 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL25185296 0.87 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL25185297 0.87 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL25339963 0.85 DPP4 (0.45) DPP4GPR119IDO1TDO2USP30
SCHEMBL30543841 0.85 DPP4 (0.45) DPP4GPR119IDO1TDO2USP30
SCHEMBL31346176 0.84 GPR119 (0.50) DPP4GPR119USP30TACR1YAP1

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-2023146785-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2023-08-03 — — WO disclosed
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