SCHEMBL5205554

SCHEMBL5205554

CC(C(Cc1ccc(Cl)cc1)c1ccccc1)N(C(=O)C1CCCC1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.46
CNR2 P34972 9/20 0.46
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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 0.93 CNR1 (0.44) CNR1CNR2ITGB1ITGA4SMN1; SMN2
SCHEMBL5203667 0.91 CNR1 (0.44) CNR1CNR2ITGB1ITGA4SMN1; SMN2
SCHEMBL5200439 0.90 CNR1 (0.47) CNR1CNR2ITGB1ITGA4SMN1; SMN2
SCHEMBL5200390 0.89 CNR1 (0.45) CNR1CNR2
SCHEMBL5206018 0.85 LMNA (0.50) CNR1CNR2LMNASMN1; SMN2
SCHEMBL5206303 0.85 CNR1 (0.42) CNR1CNR2ITGB1ITGA4SMN1; SMN2
SCHEMBL5201227 0.85 ITGB1 (0.46) CNR1CNR2ITGB1ITGA4
SCHEMBL5201747 0.85 CNR1 (0.47) CNR1CNR2ITGB1ITGA4
SCHEMBL5206421 0.85 CNR1 (0.48) CNR1CNR2
SCHEMBL5202050 0.85 CNR1 (0.38) CNR1CNR2ITGB1ITGA4

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