SCHEMBL9209651

SCHEMBL9209651

O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 1.00

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
Zanapezil SCHEMBL678642 0.97 ACHE (1.00) ACHE
Zanapezil SCHEMBL29366424 0.97 ACHE (1.00) ACHE
SCHEMBL9204959 0.96 ACHE (1.00) ACHE
Fumaric Acid SCHEMBL9200365 0.95 ACHE (0.91) ACHE
Fumaric Acid SCHEMBL9200378 0.95 ACHE (0.91) ACHE
Zanapezil SCHEMBL1232176 0.93 ACHE (0.91) ACHE
Zanapezil SCHEMBL1232174 0.93 ACHE (0.91) ACHE
SCHEMBL9201766 0.92 ACHE (1.00) ACHE
Fumaric Acid SCHEMBL9203761 0.92 ACHE (0.91) ACHE
Fumaric Acid SCHEMBL9203739 0.92 ACHE (0.91) 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
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed