SCHEMBL28984505

SCHEMBL28984505

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 13/20 0.58
▸ TP53 P04637 1/20 0.51
▸ CNR2 P34972 4/20 0.49
▸ MAPT P10636 1/20 0.48
▸ CNR1 P21554 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 0.92 ENPP2 (0.61) ENPP2CNR2CNR1
SCHEMBL28984499 0.91 ENPP2 (0.57) ENPP2TP53
SCHEMBL28984486 0.90 ENPP2 (0.52) ENPP2
SCHEMBL28984491 0.90 ENPP2 (0.52) ENPP2
SCHEMBL28984474 0.90 ENPP2 (0.52) ENPP2
SCHEMBL28984516 0.90 ENPP2 (0.54) ENPP2
SCHEMBL28984498 0.89 ENPP2 (0.55) ENPP2
SCHEMBL28984478 0.89 ENPP2 (0.63) ENPP2MAPT
SCHEMBL28984535 0.87 PTGDR2 (0.53) ENPP2TP53MAPT
SCHEMBL24914406 0.87 CLPP (0.60) ENPP2TP53MAPT

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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