SCHEMBL5453586

SCHEMBL5453586

CCCCCCCCCCC(=O)OOc1cc(O)cc(CCCCC)c1.NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.58
CNR1 P21554 17/20 0.58
PTGS2 P35354 1/20 0.50

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
SCHEMBL5337331 0.92 CNR2 (0.64) CNR2CNR1PTGS2
SCHEMBL4421695 0.83 CNR2 (0.72) CNR2CNR1
SCHEMBL4421691 0.76 CNR1 (0.74) CNR2CNR1
SCHEMBL4115813 0.73 CNR2 (0.71) CNR2CNR1
SCHEMBL4110891 0.73 CNR2 (0.71) CNR2CNR1
SCHEMBL4112785 0.73 CNR2 (0.71) CNR2CNR1
SCHEMBL4104524 0.73 CNR1 (1.00) CNR2CNR1
SCHEMBL4120080 0.73 CNR1 (1.00) CNR2CNR1
SCHEMBL4119818 0.73 CNR1 (1.00) CNR2CNR1
SCHEMBL29370372 0.73 CNR1 (1.00) CNR2CNR1

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-1846364-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS Universita' Degli Studi di Siena (IT) 2007-10-24 EP disclosed
WO-2006080040-A1 NEW POTENT AND SELECTIVE LIGANDS OF CANNABINOID RECEPTORS UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2006-08-03 WO disclosed