SCHEMBL5201747

SCHEMBL5201747

CC(C(Cc1ccc(Cl)cc1)c1ccccc1)N(C(=O)C1CCCC1)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.47
CNR2 P34972 11/20 0.47
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
SLC6A9 P48067 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL5202788 0.90 CNR1 (0.44) CNR1CNR2ITGB1ITGA4
SCHEMBL5203667 0.88 CNR1 (0.44) CNR1CNR2ITGB1ITGA4
SCHEMBL5201227 0.86 ITGB1 (0.46) CNR1CNR2ITGB1ITGA4
SCHEMBL5200390 0.86 CNR1 (0.45) CNR1CNR2
SCHEMBL5205554 0.85 CNR1 (0.46) CNR1CNR2ITGB1ITGA4
SCHEMBL5200439 0.83 CNR1 (0.47) CNR1CNR2ITGB1ITGA4TRPM8
SCHEMBL5202050 0.83 CNR1 (0.38) CNR1CNR2ITGB1ITGA4
SCHEMBL5203082 0.82 CNR1 (0.51) CNR1CNR2
SCHEMBL5202751 0.81 GPR84 (0.40) CNR1CNR2ITGB1ITGA4
SCHEMBL5202911 0.81 CNR1 (0.61) 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 6 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 claimed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP claimed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO claimed
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