SCHEMBL30543782

SCHEMBL30543782

CCCCOC(=O)N1CC[C@H]([C@H](Cc2cccc(Br)c2)C(=O)OC)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.39
▸ MMP3 P08254 3/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ P2RY12 Q9H244 3/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL30543820 0.90 GPR119 (0.40) MMP13MMP9OPRD1P2RY12
SCHEMBL22750423 0.86 OPRD1 (0.43) OPRD1FOLH1GAAMEN1KMT2A
SCHEMBL22765041 0.86 GPR119 (0.48) MMP9
SCHEMBL22764719 0.86 GPR119 (0.48) MMP9
SCHEMBL31598977 0.86 GPR119 (0.48) MMP9
SCHEMBL29508681 0.86 GPR119 (0.48) MMP9
SCHEMBL31291039 0.86 GPR119 (0.48) MMP9
SCHEMBL25430342 0.83 MMP13 (0.40) MMP13MMP3MMP9MMP2MMP8
SCHEMBL31588516 0.80 GPR119 (0.47) MMP9OPRD1
SCHEMBL22764958 0.80 GPR119 (0.47) MMP9OPRD1

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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