SCHEMBL4058554

SCHEMBL4058554

CC(C)CC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 20/20 0.81
CHRM4 P08173 3/20 0.68
CHRM5 P08912 3/20 0.68
CHRM2 P08172 2/20 0.44
DRD2 P14416 2/20 0.44
CHRM3 P20309 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL4053586 0.89 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4051705 0.89 CHRM1 (0.80) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049585 0.88 CHRM1 (0.85) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049862 0.87 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049408 0.85 CHRM1 (0.75) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4053276 0.84 CHRM1 (0.80) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4047861 0.84 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4052173 0.81 CHRM1 (0.75) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4055943 0.81 CHRM1 (1.00) CHRM1CHRM4CHRM5
SCHEMBL4051172 0.80 CHRM1 (0.79) CHRM1CHRM4CHRM5CHRM2DRD2

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-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed