SCHEMBL19784564

SCHEMBL19784564

NCc1cc(-c2ccc(C(O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)cc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.69
ACHE P22303 4/20 0.45
BCHE P06276 2/20 0.45
MAOB P27338 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
KCNH2 Q12809 1/20 0.43
CHRM4 P08173 2/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL19770164 1.00 CHRM3 (0.69) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770196 0.85 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770163 0.85 CHRM3 (0.70) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19782287 0.85 CHRM3 (0.70) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770158 0.85 CHRM3 (0.70) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770223 0.84 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19784566 0.84 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19782568 0.82 ACHE (0.47) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770172 0.82 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19782636 0.82 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2

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
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 WO disclosed