SCHEMBL9584489

SCHEMBL9584489

Nc1c2c(nc3cc(C(F)(F)F)ccc13)OCCC2

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 19/20 0.63
▸ BCHE P06276 5/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2A Q12879 3/20 0.39

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 0.78 ACHE (0.68) ACHEBCHEGRIN1GRIN2A
SCHEMBL9215322 0.77 ACHE (1.00) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9585106 0.75 CTSD (0.39) ACHE
SCHEMBL9584331 0.74 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9171949 0.70 ACHE (0.42) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9171950 0.70 TNKS (0.46) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9163178 0.70 TNKS (0.46) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL21938740 0.70 ACHE (0.68) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10638176 0.69 ACHE (0.44) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9167545 0.69 ACHE (0.44) 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
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
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
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