SCHEMBL9168172

SCHEMBL9168172

COc1ccc2c(N)c3c(nc2c1)CCC1(CCCC1)C3

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 18/20 0.67
▸ BCHE P06276 15/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ GRIN1 Q05586 5/20 0.53
▸ GRIN2A Q12879 5/20 0.53

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
SCHEMBL10486940 0.89 ACHE (0.67) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10352021 0.85 ACHE (0.67) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9168192 0.83 ACHE (0.64) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10635198 0.81 ACHE (0.67) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL12043410 0.81 ACHE (1.00) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL30410668 0.81 ACHE (1.00) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9171159 0.81 ACHE (0.63) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10631791 0.80 ACHE (0.62) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9173696 0.78 ACHE (0.61) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10351751 0.78 ACHE (0.67) ACHEBCHECHRM1GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285018-B1 Substituted 9-Amino-Spiro [cycloalkyl[b]quinoline-2,1'cycloalkanes], a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-05-31 — — EP disclosed
US-4855479-A Substituted 9-amino-spiro(cycloalkyl(B)quinoline-2,1'cycloalkanes SHUTSKE GREGORY M (US) 1989-08-08 — — US disclosed
US-4806646-A Substituted 9-amino-spiro[cycloalkyl[B]quinoline-2,1'cycloalkanes] HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-02-21 — — US disclosed
US-4762841-A Substituted 9-amino-spiro(cycloalkyl(b)quinoline-2,1'cycloalkanes) HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-09 — — US disclosed
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