SCHEMBL9584331

SCHEMBL9584331

Nc1c2c(nc3ccc(Cl)cc13)OCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 16/20 1.00
▸ BCHE P06276 5/20 0.61
▸ GRIN1 Q05586 4/20 0.61
▸ GRIN2A Q12879 4/20 0.61
▸ CHRM1 P11229 1/20 0.47
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL17992251 0.81 ACHE (0.68) ACHEBCHEGRIN1GRIN2A
SCHEMBL21938740 0.81 ACHE (0.68) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9215322 0.81 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL8006170 0.76 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
Hydrochloric Acid SCHEMBL29817833 0.75 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
Hydrochloric Acid SCHEMBL29817811 0.75 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9584489 0.74 ACHE (0.63) ACHEBCHEGRIN1GRIN2ACHRM1
Hydrochloric Acid SCHEMBL29817663 0.74 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL10286361 0.72 ACHE (0.69) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL29120934 0.72 ACHE (0.56) ACHE

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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