SCHEMBL4749263

SCHEMBL4749263

Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)OC(C)(C)C)C3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
CHRM1 P11229 4/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
CHRM3 P20309 2/20 0.53
KCNH2 Q12809 1/20 0.53
CCR5 P51681 2/20 0.47
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
HSD11B1 P28845 8/20 0.46
CACNA1F O60840 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL603516 0.94 OPRM1 (0.59) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL4749322 0.88 OPRM1 (0.45) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL29848371 0.86 ALDH1A1 (0.48) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL29848373 0.86 ALDH1A1 (0.48) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL5956482 0.86 CCR5 (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL29198147 0.85 CHRM1 (0.53) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL14041658 0.83 CHRM1 (0.50) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL3414103 0.82 CCR5 (0.49) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL8710318 0.82 CHRM1 (0.51) OPRM1OPRD1OPRK1CHRM1CHRM2
SCHEMBL31192530 0.82 CHRM1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119712-A1 BENZOIMIDAZOLE DERIVATIVES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119712-A1 BENZOIMIDAZOLE DERIVATIVES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed