SCHEMBL31139202

SCHEMBL31139202

NCCC(N)c1c2c(nc3cc(Cl)ccc13)CCC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.58
▸ BCHE P06276 8/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ EPHX2 P34913 1/20 0.58
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51

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
SCHEMBL4265843 0.97 ACHE (0.61) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL4276722 0.92 ACHE (0.60) ACHEBCHECHRM1EPHX2
SCHEMBL4271348 0.91 ACHE (0.59) ACHEBCHECHRM1EPHX2
SCHEMBL4267672 0.90 BCHE (0.58) ACHEBCHECHRM1EPHX2
SCHEMBL4268755 0.90 BCHE (0.58) ACHEBCHECHRM1EPHX2
SCHEMBL4270443 0.90 BCHE (0.58) ACHEBCHECHRM1EPHX2
SCHEMBL4280010 0.90 BCHE (0.58) ACHEBCHECHRM1EPHX2
SCHEMBL4280053 0.90 BCHE (0.58) ACHEBCHECHRM1EPHX2
SCHEMBL4274740 0.90 BCHE (0.58) ACHEBCHECHRM1EPHX2
SCHEMBL31139204 0.89 ACHE (0.63) ACHEBCHECHRM1EPHX2GRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724871-B Pyrazolone-tacrine compound and preparation method and application thereof 安徽中医药大学 2025-01-28 — — CN disclosed
CN-118724871-A Pyrazolone-tacrine compound and preparation method and application thereof 安徽中医药大学 2024-10-01 — — CN disclosed
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