SCHEMBL31564723

SCHEMBL31564723

COc1ccc(CN2CC([C@H](C)N)OCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL31564651 1.00 GRM2 (0.47) GRM2SMN1; SMN2SIRT2SIRT1GAA
SCHEMBL31564555 1.00 GRM2 (0.47) GRM2SMN1; SMN2SIRT2SIRT1GAA
SCHEMBL31564558 0.87 GRM2 (0.45) GRM2SMN1; SMN2SIRT2SIRT1GAA
SCHEMBL31564659 0.85 GRM2 (0.45) GRM2SMN1; SMN2GAAMMP1MMP13
SCHEMBL31564596 0.85 GRM2 (0.45) GRM2SMN1; SMN2GAAMMP1MMP13
SCHEMBL6496941 0.81 GRM2 (0.62) GRM2SIRT2SIRT1GAAMMP1
SCHEMBL27154092 0.81 GRM2 (0.62) GRM2SIRT2SIRT1GAAMMP1
SCHEMBL6498337 0.81 GRM2 (0.62) GRM2SIRT2SIRT1GAAMMP1
SCHEMBL31564655 0.79 MMP1 (0.42) GRM2SMN1; SMN2SIRT2SIRT1MMP1
SCHEMBL15399271 0.79 GRM2 (0.53) GRM2SMN1; SMN2SIRT2SIRT1GAA

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-2025096453-A1 COMPOUNDS FOR THE TREATMENT OF KIDNEY DISEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-08 — — WO disclosed
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