SCHEMBL9039832

SCHEMBL9039832

COc1cccc2nc3c(c(N)c12)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 16/20 1.00
▸ GRIN1 Q05586 11/20 0.68
▸ GRIN2A Q12879 11/20 0.68
▸ BCHE P06276 11/20 0.68
▸ GRIN2B Q13224 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ CACNB4 O00305 1/20 0.54
▸ CACNA1A O00555 1/20 0.54
▸ SLC22A2 O15244 1/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ CACNA1G O43497 1/20 0.54
▸ CACNG3 O60359 1/20 0.54
▸ CACNA1F O60840 1/20 0.54
▸ CACNA1H O95180 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ APP P05067 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ FABP1 P07148 1/20 0.54
▸ CHRM2 P08172 1/20 0.54

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
SCHEMBL10653196 0.82 ACHE (0.70) ACHEGRIN1GRIN2ABCHEGRIN2B
SCHEMBL9583623 0.82 ACHE (1.00) ACHEGRIN1GRIN2ABCHEGRIN2B
SCHEMBL9739247 0.81 ACHE (0.67) ACHEGRIN1GRIN2ABCHEGRIN2B
Water SCHEMBL9040201 0.80 ACHE (0.65) ACHEGRIN1GRIN2ABCHEGRIN2B
SCHEMBL9749735 0.80 ACHE (0.66) ACHEGRIN1GRIN2ABCHEGRIN2B
SCHEMBL28984974 0.80 ACHE (0.66) ACHEGRIN1GRIN2ABCHEGRIN2B
Water SCHEMBL9830096 0.79 ACHE (0.65) ACHEGRIN1GRIN2ABCHEGRIN2B
SCHEMBL10653394 0.79 ACHE (0.64) ACHEGRIN1GRIN2ABCHEGRIN2B
SCHEMBL9583526 0.79 ACHE (1.00) ACHEGRIN1GRIN2ABCHEKDM4E
SCHEMBL9042257 0.78 ACHE (0.64) ACHEGRIN1GRIN2ABCHEGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102495-B 1,2,3, 4-Tetrahydro-9-aminoacridine compound and application thereof 浙江工业大学 2025-03-21 — — CN disclosed
CN-116102495-A 1,2,3, 4-tetrahydro-9-aminoacridine compound and application thereof 浙江工业大学 2023-05-12 — — CN disclosed
EP-0430114-B1 Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-02-07 — — EP disclosed
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
US-5112829-A Intermediates for Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
EP-0430114-A2 Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-06-05 — — EP disclosed
US-4994452-A Memory disfunction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-19 — — 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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