SCHEMBL4053276

SCHEMBL4053276

O=C(NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1)C1CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 20/20 0.80
CHRM4 P08173 2/20 0.64
CHRM5 P08912 2/20 0.64
CHRM2 P08172 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL4049862 0.89 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4051705 0.86 CHRM1 (0.80) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049585 0.85 CHRM1 (0.85) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4058554 0.84 CHRM1 (0.81) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4047861 0.84 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4052173 0.81 CHRM1 (0.75) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4235093 0.80 CHRM1 (0.68) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4541747 0.80 CHRM1 (0.72) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4055943 0.79 CHRM1 (1.00) CHRM1CHRM4CHRM5

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