SCHEMBL22839945

SCHEMBL22839945

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.65
NAMPT P43490 1/20 0.45
BCHE P06276 3/20 0.43
ACHE P22303 3/20 0.43
MAOB P27338 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
GRM5 P41594 4/20 0.42
GRM1 Q13255 4/20 0.42
PDK4 Q16654 1/20 0.41
BRD4 O60885 1/20 0.41
HTR6 P50406 1/20 0.41
KCNH2 Q12809 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL19770168 1.00 CHRM3 (0.65) CHRM3NAMPTBCHEACHEMAOB
SCHEMBL19782549 0.83 CHRM3 (0.55) CHRM3BCHEACHEMAOB
SCHEMBL19770210 0.83 CHRM3 (0.62) CHRM3BCHEACHEMAOBDRD2
SCHEMBL31198982 0.81 NAMPT (0.58) NAMPTGRM5GRM1PDK4HTR6
SCHEMBL25247422 0.81 ACHE (0.59) BCHEACHE
SCHEMBL22839957 0.80 CHRM3 (0.71) CHRM3BCHEACHEMAOBDRD2
SCHEMBL19770171 0.80 CHRM3 (0.71) CHRM3BCHEACHEMAOBDRD2
SCHEMBL19770170 0.80 CHRM3 (0.71) CHRM3BCHEACHEMAOBDRD2
SCHEMBL17985816 0.78 CHRM3 (0.64) CHRM3BCHEACHEDRD2DRD4
SCHEMBL17985815 0.78 CHRM3 (0.64) CHRM3BCHEACHEDRD2DRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed