SCHEMBL4444715

SCHEMBL4444715

O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCCCCC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.69
CHRM2 P08172 3/20 0.69
CHRM4 P08173 3/20 0.69
CHRM3 P20309 2/20 0.69
DRD2 P14416 3/20 0.68
OPRM1 P35372 3/20 0.65
OPRL1 P41146 2/20 0.65
SIRT2 Q8IXJ6 1/20 0.56
PLD2 O14939 2/20 0.54
PLD1 Q13393 2/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
CHRM5 P08912 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 1/20 0.52
HTR1A P08908 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD4 P21917 1/20 0.52
HTR1D P28221 1/20 0.52

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
SCHEMBL4443440 0.90 OPRM1 (0.80) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL8891261 0.89 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL9974821 0.85 OPRM1 (0.61) CHRM1DRD2OPRM1SIRT2PLD2
SCHEMBL1152842 0.84 CHRM1 (0.61) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL4444487 0.84 CHRM1 (0.72) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL14593699 0.83 OPRM1 (0.60) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL6577844 0.82 HSD11B1 (0.62) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL11594238 0.82 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL4919819 0.82 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL4572894 0.82 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3DRD2

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