SCHEMBL28984478

SCHEMBL28984478

O=C(O)N1CCc2c(c(=O)n(Cc3cccc(F)c3)c3ncccc23)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 16/20 0.63
▸ MAPT P10636 3/20 0.53
▸ CLPP Q16740 1/20 0.47

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
SCHEMBL28984505 0.89 ENPP2 (0.58) ENPP2MAPT
SCHEMBL28984477 0.89 ENPP2 (0.61) ENPP2
SCHEMBL28984471 0.89 ENPP2 (0.50) ENPP2CLPP
SCHEMBL28984530 0.89 ENPP2 (0.50) ENPP2
SCHEMBL28984482 0.89 PTGDR2 (0.52) ENPP2CLPP
SCHEMBL28984484 0.89 ENPP2 (0.50) ENPP2MAPT
SCHEMBL24915108 0.88 CLPP (0.61) ENPP2MAPTCLPP
SCHEMBL30130120 0.88 CLPP (0.61) ENPP2MAPTCLPP
SCHEMBL24914780 0.88 CLPP (0.61) ENPP2MAPTCLPP
SCHEMBL31119373 0.87 ENPP2 (0.60) ENPP2MAPT

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-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 — — CN disclosed
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