SCHEMBL31564655

SCHEMBL31564655

COc1ccc(CN[C@H](CO)[C@@H]2CN(Cc3ccc(OC)cc3)C(=O)CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL31564659 0.87 GRM2 (0.45) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564596 0.87 GRM2 (0.45) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564695 0.86 ALDH1A1 (0.40) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564605 0.86 ALDH1A1 (0.40) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564558 0.83 GRM2 (0.45) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564651 0.79 GRM2 (0.47) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564555 0.79 GRM2 (0.47) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL31564723 0.79 GRM2 (0.47) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL6496941 0.75 GRM2 (0.62) MMP1MMP13CYP3A4CYP2C19GRM2
SCHEMBL6498337 0.75 GRM2 (0.62) MMP1MMP13CYP3A4CYP2C19GRM2

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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