SCHEMBL9583737

SCHEMBL9583737

Cc1cccc2nc3c(c(N)c12)CCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 17/20 1.00
▸ GRIN1 Q05586 4/20 0.59
▸ GRIN2A Q12879 4/20 0.59
▸ BCHE P06276 3/20 0.59
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL9211409 0.84 ACHE (1.00) ACHEGRIN1GRIN2ABCHE
SCHEMBL9583526 0.84 ACHE (1.00) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL9215322 0.78 ACHE (1.00) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL9583623 0.76 ACHE (1.00) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL9583926 0.70 ACHE (0.67) ACHEALDH1A1CYP1A2
SCHEMBL9584331 0.69 ACHE (1.00) ACHEGRIN1GRIN2ABCHE
SCHEMBL9584702 0.68 ACHE (0.82) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL17992251 0.68 ACHE (0.68) ACHEGRIN1GRIN2ABCHE
SCHEMBL21938740 0.68 ACHE (0.68) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL10651788 0.68 ACHE (0.68) ACHEGRIN1GRIN2ABCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202440-A Certain 9-amino-2-(or 4)-oxa 1,2,3,4-tetrahydro- or 1,2,3,4,5,6,7,8-octahydro-acridines PFIZER INC. (US) 1993-04-13 — — US disclosed
EP-0311303-A2 4-aminopyridine derivatives PFIZER INC. (US) 1989-04-12 — — EP disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
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