SCHEMBL10634443

SCHEMBL10634443

Cc1ccc2nc3c(c(N)c2c1)CC1(CCC1)CC3

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 20/20 0.65
▸ BCHE P06276 16/20 0.65
▸ GRIN1 Q05586 8/20 0.65
▸ GRIN2A Q12879 8/20 0.65

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
SCHEMBL10631817 0.81 ACHE (0.61) ACHEBCHEGRIN1GRIN2A
SCHEMBL10486940 0.81 ACHE (0.67) ACHEBCHEGRIN1GRIN2A
SCHEMBL9173696 0.79 ACHE (0.61) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817682 0.78 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL9172823 0.78 ACHE (0.60) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817805 0.78 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL9175875 0.77 ACHE (0.62) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817798 0.77 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL10351438 0.76 ACHE (0.64) ACHEBCHEGRIN1GRIN2A
SCHEMBL9173459 0.76 ACHE (0.53) ACHEBCHEGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4762841-A Substituted 9-amino-spiro(cycloalkyl(b)quinoline-2,1'cycloalkanes) HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-09 — — US claimed
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