SCHEMBL5386932

SCHEMBL5386932

CCCCCCCCCC(Oc1cc(O)cc(CCCCC)c1)C(=O)NC1CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.60
CNR2 P34972 18/20 0.60
PTGS2 P35354 1/20 0.47

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
SCHEMBL5381758 0.86 CNR1 (0.61) CNR1CNR2
SCHEMBL5319688 0.84 CNR2 (0.51) CNR1CNR2
SCHEMBL5317159 0.83 CNR2 (0.62) CNR1CNR2
SCHEMBL5317260 0.82 PTGS2 (0.56) CNR1CNR2PTGS2
SCHEMBL5275716 0.78 CNR2 (0.61) CNR1CNR2
SCHEMBL4120080 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL4119818 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL29370372 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL4104524 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL31442547 0.75 PTGS2 (0.63) CNR1CNR2PTGS2

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