SCHEMBL19784370

SCHEMBL19784370

CNc1c(O)ccc(C(O)CNCc2ccc(C(=O)N3CCC(c4cccc(C(C(=O)OCC5CCN(Cc6ccccc6)CC5)c5ccccc5)c4)CC3)cc2)c1/C=C\C=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.50
▸ CHRM3 P20309 16/20 0.50
▸ CHRM4 P08173 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL22839921 0.92 ADRB2 (0.60) ADRB2CHRM3CHRM4
SCHEMBL22839873 0.85 ADRB2 (0.56) ADRB2CHRM3CHRM4
SCHEMBL22839974 0.84 ADRB2 (0.40) ADRB2CHRM3
SCHEMBL19784600 0.83 ADRB2 (0.40) ADRB2CHRM3
SCHEMBL24404548 0.83 ADRB2 (0.52) ADRB2CHRM3
SCHEMBL22839800 0.83 ADRB2 (0.49) ADRB2CHRM3
SCHEMBL22839971 0.83 ADRB2 (0.49) ADRB2CHRM3
SCHEMBL22839981 0.83 ADRB2 (0.46) ADRB2CHRM3
SCHEMBL22839872 0.82 ADRB2 (0.70) ADRB2CHRM3
SCHEMBL22839907 0.82 ADRB2 (0.45) 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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