SCHEMBL25339963

SCHEMBL25339963

Cc1cc(Br)cc(C[C@H](C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.45
▸ GPR119 Q8TDV5 7/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ USP30 Q70CQ3 3/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ STS P08842 1/20 0.38
▸ YAP1 P46937 1/20 0.38

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
SCHEMBL30543841 1.00 DPP4 (0.45) DPP4GPR119IDO1TDO2USP30
SCHEMBL25960215 0.93 DPP4 (0.45) DPP4GPR119IDO1TDO2USP30
SCHEMBL31291156 0.93 DPP4 (0.45) DPP4GPR119IDO1TDO2USP30
SCHEMBL25185297 0.89 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL30543781 0.89 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL25185296 0.89 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL25185295 0.89 DPP4 (0.49) DPP4GPR119IDO1TDO2USP30
SCHEMBL31346176 0.88 GPR119 (0.50) DPP4GPR119USP30MMP13JAK2
SCHEMBL31588855 0.88 DPP4 (0.44) DPP4GPR119IDO1TDO2USP30
SCHEMBL25340387 0.88 DPP4 (0.45) DPP4GPR119USP30MMP13MEN1

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