SCHEMBL4052173

SCHEMBL4052173

O=C(Cc1cccs1)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.75
CHRM4 P08173 2/20 0.65
CHRM5 P08912 2/20 0.65
SIGMAR1 Q99720 1/20 0.50
CHRM2 P08172 1/20 0.47
DRD2 P14416 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
ADRA1B P35368 1/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL4047861 0.86 CHRM1 (1.00) CHRM1CHRM4CHRM5SIGMAR1CHRM2
SCHEMBL4053586 0.84 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049585 0.82 CHRM1 (0.85) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049862 0.81 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4058554 0.81 CHRM1 (0.81) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4049507 0.81 CHRM1 (0.74) CHRM1CHRM4CHRM5SIGMAR1CHRM2
SCHEMBL4053276 0.81 CHRM1 (0.80) CHRM1CHRM4CHRM5CHRM2DRD2
SCHEMBL4051172 0.80 CHRM1 (0.79) CHRM1CHRM4CHRM5SIGMAR1CHRM2
SCHEMBL4232626 0.80 CHRM1 (0.61) CHRM1CHRM4CHRM5SIGMAR1CHRM2
SCHEMBL4051705 0.79 CHRM1 (0.80) 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 3 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
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed