SCHEMBL9583526

SCHEMBL9583526

COc1cccc2nc3c(c(N)c12)CCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 1.00
▸ DCPS Q96C86 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ BCHE P06276 3/20 0.42
▸ GRIN1 Q05586 3/20 0.42
▸ GRIN2A Q12879 3/20 0.42
▸ ELANE P08246 1/20 0.40

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
SCHEMBL9583737 0.84 ACHE (1.00) ACHEALDH1A1CYP1A2BCHEGRIN1
SCHEMBL9211409 0.80 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL9039832 0.79 ACHE (1.00) ACHEALDH1A1CYP1A2KDM4ECYP2D6
SCHEMBL9215322 0.74 ACHE (1.00) ACHEALDH1A1CYP1A2KDM4ECYP2D6
SCHEMBL10653196 0.70 ACHE (0.70) ACHEDCPSALDH1A1KDM4EHPGD
SCHEMBL7283298 0.68 ACHE (0.56) ACHEDCPSALDH1A1CYP1A2KDM4E
SCHEMBL9584331 0.68 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL28984974 0.68 ACHE (0.66) ACHEDCPSALDH1A1KDM4EHPGD
SCHEMBL11057340 0.67 DCPS (0.57) ACHEDCPSALDH1A1CYP1A2KDM4E
SCHEMBL9583926 0.67 ACHE (0.67) ACHEALDH1A1CYP1A2ELANE

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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