SCHEMBL19784097

SCHEMBL19784097

O=C(OCC1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1cccc(-c2ccc(CN3C(=O)c4ccc(CNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)cc4C3=O)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.64
▸ CHRM3 P20309 20/20 0.64

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
SCHEMBL20684357 0.90 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL19770214 0.90 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL19782500 0.90 ADRB2 (0.79) ADRB2CHRM3
SCHEMBL19784572 0.88 ADRB2 (0.74) ADRB2CHRM3
SCHEMBL22839990 0.88 ADRB2 (0.71) ADRB2CHRM3
SCHEMBL22839827 0.88 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL22839850 0.86 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL19784576 0.85 ADRB2 (0.74) ADRB2CHRM3
SCHEMBL22839918 0.85 ADRB2 (0.47) ADRB2CHRM3
SCHEMBL19784581 0.84 ADRB2 (0.67) 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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