SCHEMBL5613615

SCHEMBL5613615

CC1CCN(C(=O)c2ccc3c(c2)c2c(n3-c3cc[c]cc3)CCN(C3CCOCC3)C2)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.74
KCNH2 Q12809 5/20 0.74
CNR2 P34972 2/20 0.68

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
SCHEMBL3310665 0.90 CNR1 (0.74) CNR1KCNH2CNR2
SCHEMBL3311149 0.87 CNR1 (0.70) CNR1KCNH2CNR2
SCHEMBL3313844 0.87 CNR1 (0.70) CNR1KCNH2CNR2
SCHEMBL3312679 0.85 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3312773 0.84 CNR1 (0.80) CNR1KCNH2CNR2
SCHEMBL3312035 0.83 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3310443 0.83 CNR1 (0.87) CNR1KCNH2CNR2
SCHEMBL13329555 0.83 CNR1 (0.74) CNR1KCNH2CNR2
SCHEMBL3310303 0.82 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3305796 0.82 CNR1 (0.87) CNR1KCNH2CNR2

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
EP-1863810-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1' RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006101434-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1’ RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-09-28 WO disclosed