SCHEMBL4745949

SCHEMBL4745949

Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)OCC(C)C)CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.64
OPRD1 P41143 4/20 0.64
OPRK1 P41145 4/20 0.64
CHRM1 P11229 5/20 0.58
CHRM2 P08172 3/20 0.58
CHRM4 P08173 2/20 0.58
CHRM5 P08912 2/20 0.58
CHRM3 P20309 2/20 0.58
KCNH2 Q12809 1/20 0.54
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
OPRL1 P41146 9/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
CACNA1F O60840 2/20 0.48
HTR7 P34969 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48

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
SCHEMBL4668824 0.91 CHRM1 (0.70) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4659645 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4747240 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4647578 0.84 CHRM1 (0.52) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4648241 0.84 CHRM2 (0.56) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL2998817 0.83 CHRM1 (0.68) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL2998805 0.83 CHRM1 (0.68) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL2998801 0.83 CHRM1 (0.68) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL603516 0.82 OPRM1 (0.59) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4605846 0.82 CHRM2 (0.47) OPRM1OPRD1OPRK1CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119711-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119714-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119716-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119717-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed