SCHEMBL5239744

SCHEMBL5239744

CC(NC(=O)C1(c2cccnc2)CC1)C(Cc1ccc(Cl)cc1)c1ccccc1.O=C(O)C1(c2cccnc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.57
CNR2 P34972 9/20 0.51
ITGA4 P13612 5/20 0.46
ITGB7 P26010 5/20 0.46

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
SCHEMBL4827955 0.97 CNR1 (0.60) CNR1CNR2ITGA4ITGB7
SCHEMBL4823270 0.94 CNR1 (0.58) CNR1CNR2ITGA4ITGB7
SCHEMBL14064694 0.90 CNR1 (0.53) CNR1CNR2ITGA4ITGB7
SCHEMBL4831230 0.90 CNR1 (0.53) CNR1CNR2ITGA4ITGB7
SCHEMBL4830008 0.87 CNR1 (0.57) CNR1CNR2
Trifluoroacetic Acid SCHEMBL4831441 0.86 CNR1 (0.53) CNR1CNR2ITGA4ITGB7
SCHEMBL14064712 0.83 CNR1 (0.55) CNR1CNR2
SCHEMBL4829829 0.83 CNR1 (0.55) CNR1CNR2
SCHEMBL4831420 0.83 CNR1 (0.55) CNR1CNR2
SCHEMBL4825699 0.83 CNR1 (0.61) CNR1CNR2ITGA4ITGB7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed