SCHEMBL5598305

SCHEMBL5598305

CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc3c(c1)CCO3)n2C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.50
ACSL1 P33121 1/20 0.50
CNR1 P21554 7/20 0.49
BCHE P06276 4/20 0.49
ACHE P22303 2/20 0.49
OPRM1 P35372 2/20 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
SCHEMBL14457991 0.88 CNR2 (0.54) CNR2CNR1BCHEACHEOPRM1
SCHEMBL5598200 0.88 CNR2 (0.65) CNR2CNR1BCHEACHEOPRM1
SCHEMBL5598325 0.87 CNR2 (0.70) CNR2CNR1BCHEACHEOPRM1
SCHEMBL5632327 0.87 CNR2 (0.55) CNR2CNR1BCHEACHEOPRM1
SCHEMBL5598830 0.86 CNR2 (0.65) CNR2CNR1BCHEACHE
SCHEMBL5598672 0.86 CNR2 (0.67) CNR2CNR1
SCHEMBL5598424 0.85 CNR2 (0.68) CNR2CNR1
SCHEMBL5598476 0.84 CNR2 (0.71) CNR2CNR1
SCHEMBL5598448 0.84 CNR2 (0.68) CNR2CNR1
SCHEMBL5598293 0.83 CNR2 (0.69) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed