SCHEMBL5201139

SCHEMBL5201139

C[C@H](NC(=O)C1CCC(C(=O)c2ccccc2)CC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.53
CNR2 P34972 10/20 0.53
FDFT1 P37268 2/20 0.52
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL14064687 1.00 CNR1 (0.53) CNR1CNR2FDFT1GAAHPGD
SCHEMBL4823362 1.00 CNR1 (0.53) CNR1CNR2FDFT1GAAHPGD
SCHEMBL4823367 1.00 CNR1 (0.53) CNR1CNR2FDFT1GAAHPGD
SCHEMBL14064685 1.00 CNR1 (0.53) CNR1CNR2FDFT1GAAHPGD
SCHEMBL4831250 1.00 CNR1 (0.53) CNR1CNR2FDFT1GAAHPGD
SCHEMBL4829860 0.94 CNR1 (0.52) CNR1CNR2FDFT1
SCHEMBL4825560 0.90 CNR1 (0.50) CNR1CNR2FDFT1GAAHPGD
SCHEMBL3594447 0.86 CNR1 (0.50) CNR1CNR2FDFT1GAAHPGD
SCHEMBL4827963 0.85 CNR1 (0.50) CNR1CNR2FDFT1
SCHEMBL4822199 0.85 CNR1 (0.50) CNR1CNR2FDFT1

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