SCHEMBL4960472

SCHEMBL4960472

COC[C@H]1CCCN1Cc1nc(-c2cn(CC3CCCCC3)c3c(OC)cccc23)no1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.53
CNR2 P34972 3/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3573125 1.00 CNR1 (0.53) CNR1CNR2KCNH2
SCHEMBL3573123 1.00 CNR1 (0.53) CNR1CNR2KCNH2
Hydrochloric Acid SCHEMBL3577766 0.99 CNR1 (0.52) CNR1CNR2KCNH2
Hydrochloric Acid SCHEMBL3577764 0.99 CNR1 (0.52) CNR1CNR2KCNH2
SCHEMBL3561596 0.83 CNR1 (0.62) CNR1CNR2KCNH2
SCHEMBL3568204 0.81 CNR1 (0.67) CNR1CNR2KCNH2
SCHEMBL3577716 0.79 CNR1 (0.60) CNR1CNR2KCNH2
SCHEMBL3567617 0.77 CNR1 (0.50) CNR1CNR2
SCHEMBL3569809 0.77 CNR1 (0.50) CNR1CNR2
SCHEMBL3567616 0.77 CNR1 (0.50) CNR1CNR2

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
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed