SCHEMBL28984491

SCHEMBL28984491

O=C(O)N1CCc2c(c(=O)n(Cc3ccc(Br)cc3)c3ncccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 18/20 0.52
▸ CLPP Q16740 1/20 0.45

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 0.92 ENPP2 (0.61) ENPP2
SCHEMBL28984499 0.91 ENPP2 (0.57) ENPP2CLPP
SCHEMBL28984486 0.90 ENPP2 (0.52) ENPP2
SCHEMBL28984505 0.90 ENPP2 (0.58) ENPP2
SCHEMBL28984474 0.90 ENPP2 (0.52) ENPP2
SCHEMBL28984516 0.90 ENPP2 (0.54) ENPP2
SCHEMBL28984471 0.89 ENPP2 (0.50) ENPP2CLPP
SCHEMBL28984498 0.87 ENPP2 (0.55) ENPP2CLPP
SCHEMBL28984535 0.87 PTGDR2 (0.53) ENPP2CLPP
SCHEMBL24914398 0.87 CLPP (0.60) 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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