SCHEMBL28984482

SCHEMBL28984482

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.52
▸ ENPP2 Q13822 16/20 0.52
▸ CLPP Q16740 2/20 0.48
▸ TP53 P04637 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
SCHEMBL28984477 0.91 ENPP2 (0.61) PTGDR2ENPP2
SCHEMBL28984499 0.90 ENPP2 (0.57) PTGDR2ENPP2CLPPTP53
SCHEMBL28984484 0.89 ENPP2 (0.50) PTGDR2ENPP2TP53
SCHEMBL28984478 0.89 ENPP2 (0.63) ENPP2CLPP
SCHEMBL28984471 0.89 ENPP2 (0.50) ENPP2CLPP
SCHEMBL28984530 0.89 ENPP2 (0.50) PTGDR2ENPP2
SCHEMBL24914677 0.89 CLPP (0.61) PTGDR2ENPP2CLPP
SCHEMBL30130065 0.89 CLPP (0.61) PTGDR2ENPP2CLPP
SCHEMBL24914407 0.89 CLPP (0.61) PTGDR2ENPP2CLPP
SCHEMBL28984516 0.87 ENPP2 (0.54) PTGDR2ENPP2

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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