SCHEMBL4444487

SCHEMBL4444487

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.72
DRD2 P14416 3/20 0.69
CHRM2 P08172 1/20 0.67
CHRM4 P08173 1/20 0.67
CHRM3 P20309 1/20 0.67
HTR1A P08908 2/20 0.65
ADRA2A P08913 2/20 0.65
HTR2A P28223 2/20 0.65
SLC6A4 P31645 2/20 0.65
DRD3 P35462 2/20 0.65
OPRM1 P35372 5/20 0.60
MEN1 O00255 1/20 0.56
SLC22A2 O15244 1/20 0.56
NR1I2 O75469 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
ADRB2 P07550 1/20 0.56

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
SCHEMBL8674000 0.90 CHRM1 (0.69) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL1271627 0.88 OPRL1 (0.70) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL26666399 0.86 DRD2 (0.70) CHRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL10316252 0.84 DRD2 (0.76) CHRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL4444715 0.84 CHRM1 (0.69) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL4403836 0.83 DRD2 (0.72) CHRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL28979863 0.82 DRD2 (0.65) CHRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL11594590 0.81 OPRM1 (0.61) CHRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL11595640 0.81 CHRM1 (0.59) CHRM1DRD2HTR1AADRA2AHTR2A
SCHEMBL29364904 0.81 DRD2 (0.64) CHRM1DRD2HTR1AADRA2AHTR2A

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-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed