SCHEMBL28974759

SCHEMBL28974759

CC(=O)[C@@H](C)COC(=O)C1CN(C(=O)OC[C@H](C)C(C)=O)CCN1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.35
RAB9A P51151 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL28974701 0.83 SLC18A2 (0.35) SLC18A2
SCHEMBL29713916 0.70 ALDH1A1 (0.41)
SCHEMBL337013 0.70 ALDH1A1 (0.41)
SCHEMBL13954409 0.70 ALDH1A1 (0.41)
SCHEMBL12942975 0.70 SLC18A2 (0.34) SLC18A2
SCHEMBL27778862 0.70 MAPT (0.45) SLC18A2
SCHEMBL14411662 0.69 CHRNB2 (0.43) SLC18A2CHRNB2CHRNA4
SCHEMBL3306996 0.69 MAPT (0.39)
SCHEMBL3714985 0.69 RAB9A (0.40) SLC18A2RAB9A
SCHEMBL1760819 0.69 MAPT (0.55)

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-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed