SCHEMBL29057475

SCHEMBL29057475

CC1CN(CC(=O)NC2CCCCC2)CCN1Cc1cnc(N)s1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 9/20 0.75
▸ SIGMAR1 Q99720 5/20 0.43
▸ CHRM5 P08912 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL27008654 0.86 OGA (1.00) OGA
SCHEMBL29057525 0.86 OGA (0.70) OGASIGMAR1CHRM5CHRM1CHRM2
SCHEMBL30440365 0.82 OGA (0.52) OGASIGMAR1ALDH1A1GAALMNA
SCHEMBL29057518 0.81 OGA (0.77) OGAALDH1A1LMNA
SCHEMBL29057480 0.79 OGA (0.77) OGAALDH1A1TSHR
SCHEMBL29057427 0.79 OGA (0.77) OGAALDH1A1
SCHEMBL29057450 0.79 OGA (0.77) OGAALDH1A1TSHR
SCHEMBL29057446 0.79 OGA (0.77) OGAALDH1A1TSHR
SCHEMBL29057492 0.77 OGA (0.79) OGALMNA
SCHEMBL29057476 0.73 OGA (0.56) OGA

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-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 — — CN disclosed
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