SCHEMBL19784079

SCHEMBL19784079

CC(c1ccccc1)c1cccc(C2=CCN(C(=O)c3ccc(CCNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.54
▸ ADRB1 P08588 8/20 0.52
▸ ADRB3 P13945 3/20 0.51
▸ CHRM3 P20309 3/20 0.49
▸ DRD2 P14416 2/20 0.48
▸ DRD1 P21728 2/20 0.48
▸ DRD4 P21917 2/20 0.48
▸ DRD3 P35462 2/20 0.48

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
SCHEMBL22829185 0.87 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM3
SCHEMBL22829187 0.87 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM3
SCHEMBL22839982 0.85 ADRB2 (0.47) ADRB2ADRB1CHRM3
SCHEMBL22840003 0.85 ADRB2 (0.50) ADRB2ADRB1CHRM3
SCHEMBL22829209 0.81 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22829193 0.81 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL22829205 0.81 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL22829191 0.81 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL22829237 0.79 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL19770186 0.79 ADRB2 (0.78) ADRB2CHRM3

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
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
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