SCHEMBL19784015

SCHEMBL19784015

CC(C)(C)OC(=O)N(CCc1ccc(O)c2[nH]c(=O)ccc12)Cc1ccc(C(=O)O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.38
ADRB1 P08588 9/20 0.38
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SSTR4 P31391 1/20 0.33
ADRB3 P13945 1/20 0.32

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
SCHEMBL24404486 0.92 ADRB2 (0.37) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL19784428 0.88 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL19784429 0.85 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL24404476 0.85 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL24404532 0.84 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL19784017 0.83 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL19784426 0.83 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL19784007 0.83 HDAC1 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL22839839 0.82 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL19784019 0.82 ADRB2 (0.38) ADRB2ADRB1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
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