SCHEMBL4587847

SCHEMBL4587847

CCO[C@H]1CC[C@H](N2CCC(c3cc(C)nc(N)c3N)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
TLR9 Q9NR96 4/20 0.33
PIK3CA P42336 4/20 0.33
HTR4 Q13639 2/20 0.33
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR1F P30939 2/20 0.32
CHRM1 P11229 1/20 0.32
AKT1 P31749 4/20 0.31
MTOR P42345 4/20 0.31
MAP3K12 Q12852 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
PIK3CD O00329 1/20 0.30
CSNK2A2 P19784 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL4587855 1.00 TLR8 (0.33) TLR8TLR7TLR9PIK3CAHTR4
SCHEMBL4589942 0.82 CHRM4 (0.44) HTR1DHTR1BHTR1FCHRM1CHRM2
SCHEMBL4589945 0.82 CHRM4 (0.44) HTR1DHTR1BHTR1FCHRM1CHRM2
SCHEMBL604341 0.74 CHRM4 (0.38) CHRM1CHRM2CHRM4
SCHEMBL604342 0.74 CHRM4 (0.38) CHRM1CHRM2CHRM4
SCHEMBL1158423 0.69 CHRM1 (0.38) CHRM1CHRM2CHRM4
SCHEMBL607149 0.68 ABCB1 (0.39) CHRM1CHRM2CHRM4
SCHEMBL607150 0.68 ABCB1 (0.39) CHRM1CHRM2CHRM4
SCHEMBL14039811 0.68 IRAK4 (0.41) TLR7PIK3CAMTOR
SCHEMBL608209 0.67 CHRM4 (0.36) CHRM1CHRM2CHRM4

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