SCHEMBL4589945

SCHEMBL4589945

CCOC1CCC(C)(N2CCC(c3cc(C)nc(N)c3N)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 15/20 0.44
CHRM5 P08912 15/20 0.44
CHRM1 P11229 15/20 0.44
CHRM3 P20309 14/20 0.44
CHRM2 P08172 13/20 0.44
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
CCR5 P51681 3/20 0.32
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1F P30939 1/20 0.30

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
SCHEMBL4589942 1.00 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4573174 0.83 CHRM4 (0.45) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4573164 0.83 CHRM4 (0.45) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4587847 0.82 TLR8 (0.33) CHRM4CHRM1CHRM2HTR1DHTR1B
SCHEMBL4587855 0.82 TLR8 (0.33) CHRM4CHRM1CHRM2HTR1DHTR1B
SCHEMBL4573233 0.77 CHRM4 (0.42) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4573228 0.77 CHRM4 (0.42) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4589477 0.76 CHRM4 (0.42) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL4589470 0.76 CHRM4 (0.42) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL605240 0.75 CHRM4 (0.47) CHRM4CHRM5CHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119713-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