SCHEMBL20699478

SCHEMBL20699478

COc1ccc(CC(C)NCC(O)c2ccc(OC(=O)/C=C/C(=O)Oc3ccc(C(O)CNC(C)Cc4ccc(OC)cc4)cc3NC=O)c(NC=O)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.73
ADRB1 P08588 7/20 0.73
ADRB3 P13945 5/20 0.73
DRD2 P14416 2/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
TSHR P16473 2/20 0.73
MAPK1 P28482 2/20 0.73
SLC6A4 P31645 2/20 0.73
ADRA1A P35348 2/20 0.73
PGR P06401 1/20 0.73
PTGS2 P35354 1/20 0.73
SLC6A3 Q01959 1/20 0.73
CYP2C19 P33261 1/20 0.73
DRD3 P35462 1/20 0.73
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL1151393 1.00 ADRB2 (0.73) ADRB2ADRB1ADRB3DRD2CYP1A2
Water SCHEMBL149022 0.99 ADRB2 (0.72) ADRB2ADRB1ADRB3DRD2CYP1A2
Formoterol SCHEMBL6528975 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL4247 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL3679114 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL117865 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL6547706 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Formoterol SCHEMBL15856256 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Arformoterol SCHEMBL458736 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2
Formoterol SCHEMBL349579 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3DRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940115-A Compositions, methods, and systems for aerosol drug delivery 阿斯利康制药有限公司 2024-04-26 CN disclosed
CN-117915892-A Compositions, methods, and systems for aerosol drug delivery 阿斯利康制药有限公司 2024-04-19 CN disclosed
CN-117915893-A Compositions, methods, and systems for aerosol drug delivery 阿斯利康制药有限公司 2024-04-19 CN disclosed
EP-4175620-B1 COMPOSITIONS, METHODS AND SYSTEMS FOR AEROSOL DRUG DELIVERY ASTRAZENECA PHARMACEUTICALS LP (US) 2024-04-10 EP disclosed
CN-107412212-B Pulmonary delivery of long-acting muscarinic antagonists and long-acting beta2Compositions of adrenergic receptor agonists and related methods and systems 珍珠治疗公司 2021-01-22 CN disclosed
CN-107669664-B Compositions for respiratory delivery of active agents and related methods and systems 珍珠治疗公司 2020-07-10 CN disclosed
EP-3106149-B1 COMPOSITIONS FOR PULMONARY DELIVERY OF LONG-ACTING MUSCARINIC ANTAGONISTS AND LONG-ACTING BETA-2 ADRENERGIC RECEPTOR AGONISTS AND ASSOCIATED METHODS AND SYSTEMS PEARL THERAPEUTICS INC (US) 2019-11-20 EP disclosed
US-20190038548-A1 Compositions for respiratory delivery of active agents and associated methods and systems PEARL THERAPEUTICS INC (US) 2019-02-07 US disclosed