SCHEMBL25331509

SCHEMBL25331509

C[C@H]1CN(C(=O)O)CCN1c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ GFER P55789 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ADAMTS5 Q9UNA0 5/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL30493371 0.88 GPR119 (0.44) ALDH1A1LMNATP53
SCHEMBL25931356 0.88 GPR119 (0.44) ALDH1A1LMNATP53
SCHEMBL25931020 0.88 GPR119 (0.44) ALDH1A1LMNATP53
SCHEMBL25931015 0.88 GPR119 (0.44) ALDH1A1LMNATP53
SCHEMBL17746120 0.73 MAPT (0.47) GFERMEN1KMT2ALMNAMAPT
SCHEMBL6904992 0.73 MAPK1 (0.55) SLC18A3GFERLMNAMAPTADAMTS5
SCHEMBL6912788 0.72 GFER (0.46) GFERMEN1KMT2ALMNAMAPT
SCHEMBL27208470 0.72 GFER (0.46) GFERMEN1KMT2ALMNAMAPT
SCHEMBL27208320 0.72 GFER (0.46) GFERMEN1KMT2ALMNAMAPT
SCHEMBL29656929 0.71 ALDH1A1 (0.45) SLC18A3ALDH1A1GFERMEN1KMT2A

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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