SCHEMBL31473132

SCHEMBL31473132

C[C@H]1C(=O)N(Cc2ccc3ccccc3n2)[C@@H](COC(C)(C)C)C(=O)N1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.45
HCRTR2 O43614 10/20 0.45
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP3 P08254 1/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE10A Q9Y233 3/20 0.34
DRD4 P21917 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL31473148 0.83 BRD4 (0.33) HCRTR1HCRTR2PDE10A
SCHEMBL31473150 0.82 HDAC1 (0.40) KDM4EALDH1A1
SCHEMBL31473158 0.79 EHMT2 (0.40) MMP1MMP9MMP3
SCHEMBL31473144 0.79 HCRTR1 (0.43) HCRTR1HCRTR2KDM4E
SCHEMBL31473167 0.76 MAPT (0.38) KDM4EALDH1A1
SCHEMBL31473141 0.69 CAPN1 (0.35) ALDH1A1
SCHEMBL13314537 0.66 CYSLTR1 (0.57) PDE10A
SCHEMBL31473155 0.65 FSHR (0.31)
SCHEMBL31473156 0.62 LMNA (0.37) KDM4EALDH1A1
SCHEMBL31473157 0.62 CYP2C9 (0.32)

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
CN-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed