SCHEMBL28984471

SCHEMBL28984471

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

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 19/20 0.50
▸ 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
SCHEMBL28984491 0.89 ENPP2 (0.52) ENPP2CLPP
SCHEMBL28984477 0.89 ENPP2 (0.61) ENPP2
SCHEMBL28984482 0.89 PTGDR2 (0.52) ENPP2CLPP
SCHEMBL28984484 0.89 ENPP2 (0.50) ENPP2
SCHEMBL28984530 0.89 ENPP2 (0.50) ENPP2
SCHEMBL28984478 0.89 ENPP2 (0.63) ENPP2CLPP
SCHEMBL24914512 0.88 CLPP (0.61) ENPP2CLPP
SCHEMBL30130092 0.88 CLPP (0.61) ENPP2CLPP
SCHEMBL24914802 0.88 CLPP (0.61) ENPP2CLPP
SCHEMBL31119370 0.87 ENPP2 (0.49) ENPP2CLPP

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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