SCHEMBL31564596

SCHEMBL31564596

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MMP1 P03956 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PKM P14618 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
SCHEMBL31564659 1.00 GRM2 (0.45) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564655 0.87 MMP1 (0.42) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564555 0.85 GRM2 (0.47) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564651 0.85 GRM2 (0.47) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564723 0.85 GRM2 (0.47) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564605 0.81 ALDH1A1 (0.40) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564695 0.81 ALDH1A1 (0.40) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL31564558 0.80 GRM2 (0.45) GRM2SMN1; SMN2MMP1MMP13CYP3A4
SCHEMBL6496941 0.78 GRM2 (0.62) GRM2MMP1MMP13CYP3A4CYP2C19
SCHEMBL6498337 0.78 GRM2 (0.62) GRM2MMP1MMP13CYP3A4CYP2C19

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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