SCHEMBL5201512

SCHEMBL5201512

CC[C@@]1(C(=O)NC(=O)OCCCCC(C)C(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.49
CNR2 P34972 14/20 0.49

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
SCHEMBL5202892 0.83 CNR1 (0.51) CNR1CNR2
SCHEMBL14064736 0.83 CNR1 (0.65) CNR1CNR2
SCHEMBL5202590 0.73 CNR1 (0.57) CNR1CNR2
SCHEMBL14064719 0.72 CNR1 (0.69) CNR1CNR2
SCHEMBL4829916 0.72 CNR1 (0.69) CNR1CNR2
SCHEMBL4825589 0.72 CNR1 (0.68) CNR1CNR2
SCHEMBL14064717 0.72 CNR1 (0.68) CNR1CNR2
SCHEMBL5233690 0.71 CNR1 (0.57) CNR1CNR2
Hydrochloric Acid SCHEMBL4829918 0.71 CNR1 (0.64) CNR1CNR2
Hydrochloric Acid SCHEMBL4829924 0.71 CNR1 (0.64) 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