SCHEMBL5205656

SCHEMBL5205656

CC(c1ccc(Cl)cc1)C(CNC(=O)C1CC1c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
ALDH1A1 P00352 2/20 0.48
HDAC4 P56524 1/20 0.46
GRIN2B Q13224 1/20 0.45
CHRNA7 P36544 3/20 0.43
GPR88 Q9GZN0 4/20 0.43

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 0.78 MEN1 (0.41)
SCHEMBL4829855 0.78 CNR1 (0.52)
SCHEMBL5200515 0.77 MGLL (0.44) ALDH1A1
SCHEMBL5262774 0.76 SLC6A9 (0.54)
SCHEMBL5205796 0.76 HPGD (0.46) ALDH1A1
SCHEMBL31332669 0.74 LMNA (0.53) SIGMAR1ALDH1A1HDAC4GPR88
SCHEMBL4689271 0.73 RAB9A (0.48) ALDH1A1
SCHEMBL5479926 0.73 PRMT5 (0.42) ALDH1A1
SCHEMBL31332685 0.73 LMNA (0.57) SIGMAR1ALDH1A1HDAC4GPR88
SCHEMBL31332765 0.73 LMNA (0.49) SIGMAR1ALDH1A1HDAC4GPR88

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