SCHEMBL3573807

SCHEMBL3573807

CN(C)Cc1nc(-c2cn(CC3CCCCC3)c3c(F)cccc23)no1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.54
KCNH2 Q12809 5/20 0.53
CNR2 P34972 3/20 0.53
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3571155 0.89 CNR1 (0.68) CNR1KCNH2CNR2ALDH1A1
SCHEMBL3568204 0.88 CNR1 (0.67) CNR1KCNH2CNR2ALDH1A1
SCHEMBL3577716 0.77 CNR1 (0.60) CNR1KCNH2CNR2
SCHEMBL3565765 0.76 CNR1 (0.60) CNR1KCNH2CNR2
SCHEMBL3561596 0.76 CNR1 (0.62) CNR1KCNH2CNR2
SCHEMBL3579706 0.74 CNR1 (0.59) CNR1KCNH2
SCHEMBL3570525 0.74 CNR1 (0.66) CNR1KCNH2CNR2
SCHEMBL3572792 0.72 CNR1 (0.55) CNR1KCNH2CNR2
SCHEMBL3518618 0.70 CNR1 (0.85) CNR1KCNH2CNR2
SCHEMBL3573125 0.70 CNR1 (0.53) 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
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed