SCHEMBL28787669

SCHEMBL28787669

Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.87
▸ TP53 P04637 1/20 0.87
▸ BCHE P06276 8/20 0.77
▸ LMNA P02545 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ ALOX15 P16050 1/20 0.73
▸ NPY1R P25929 1/20 0.73
▸ NPY2R P49146 1/20 0.73
▸ USP2 O75604 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72

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
SCHEMBL29728192 1.00 MAPT (0.87) MAPTTP53BCHELMNATSHR
SCHEMBL1900273 0.88 BCHE (0.77) MAPTTP53BCHELMNATSHR
SCHEMBL29728204 0.87 BCHE (1.00) MAPTTP53BCHELMNATSHR
SCHEMBL28787629 0.87 BCHE (1.00) MAPTTP53BCHELMNATSHR
SCHEMBL28576916 0.87 BCHE (1.00) BCHE
SCHEMBL29728188 0.86 BCHE (0.78) MAPTTP53BCHELMNATSHR
SCHEMBL28944914 0.86 BCHE (0.78) MAPTTP53BCHELMNATSHR
SCHEMBL1901750 0.86 BCHE (0.75) MAPTTP53BCHELMNATSHR
SCHEMBL28787610 0.86 BCHE (0.84) MAPTTP53BCHE
SCHEMBL29728214 0.86 BCHE (0.84) MAPTTP53BCHE

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-109265451-B Butyrylcholinesterase selective inhibitor and preparation method and application thereof 中国药科大学 2022-07-15 — — CN disclosed
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