SCHEMBL4786542

SCHEMBL4786542

CCCOC1CCCC(N2CCC(Nc3cc(C)c(F)cc3N)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALOX15 P16050 1/20 0.31
HRH3 Q9Y5N1 6/20 0.31
SETD2 Q9BYW2 2/20 0.30
NSD2 O96028 1/20 0.30
CYP2C8 P10632 1/20 0.30
DRD2 P14416 1/20 0.30
HTR1B P28222 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL4786536 1.00 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4786529 1.00 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL603227 0.88 CHRM1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL602758 0.88 CHRM1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL602759 0.88 CHRM1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4748672 0.85 MAPT (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4748676 0.85 MAPT (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4748675 0.85 MAPT (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4745758 0.85 DPP4 (0.33) DPP4DPP8DPP9DPP7HRH3
SCHEMBL4745761 0.85 DPP4 (0.33) DPP4DPP8DPP9DPP7HRH3

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-2008119715-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