SCHEMBL5200515

SCHEMBL5200515

CC(c1ccc(Cl)cc1)C(CNC(=O)C1CCC(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5206255 0.93 MEN1 (0.41) MGLLMEN1KMT2AGAAHPGD
SCHEMBL5205796 0.89 HPGD (0.46) MGLLMEN1KMT2AGAAHPGD
SCHEMBL5262774 0.79 SLC6A9 (0.54) MEN1KMT2AGAASMN1; SMN2TP53
SCHEMBL5200358 0.78 SMN1; SMN2 (0.41) MEN1KMT2AGAAHPGDSMN1; SMN2
SCHEMBL14064685 0.78 CNR1 (0.53) GAAHPGDSMN1; SMN2
SCHEMBL4823367 0.78 CNR1 (0.53) GAAHPGDSMN1; SMN2
SCHEMBL4823362 0.78 CNR1 (0.53) GAAHPGDSMN1; SMN2
SCHEMBL5201139 0.78 CNR1 (0.53) GAAHPGDSMN1; SMN2
SCHEMBL14064687 0.78 CNR1 (0.53) GAAHPGDSMN1; SMN2
SCHEMBL4831250 0.78 CNR1 (0.53) GAAHPGDSMN1; SMN2

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