SCHEMBL4458567

SCHEMBL4458567

COc1ccc(CC(C)NC(O)Cc2ccc(O)c(NC=O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.67
▸ ADRB3 P13945 7/20 0.67
▸ ADRB1 P08588 6/20 0.67
▸ DRD2 P14416 2/20 0.67
▸ PGR P06401 1/20 0.67
▸ SLC6A4 P31645 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ DRD3 P35462 1/20 0.67

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
SCHEMBL14118053 1.00 ADRB2 (0.67) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL3628729 1.00 ADRB2 (0.67) ADRB2ADRB3ADRB1DRD2PGR
Fumaric Acid SCHEMBL29640688 0.85 ADRB2 (0.64) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL8347843 0.83 ADRB2 (0.69) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL10000683 0.83 ADRB2 (0.69) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL3412030 0.83 ADRB2 (0.66) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL7182431 0.81 ADRB2 (0.56) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL2354898 0.81 ADRB3 (0.53) ADRB2ADRB3ADRB1DRD2PGR
Formoterol SCHEMBL349579 0.81 ADRB2 (1.00) ADRB2ADRB3ADRB1DRD2PGR
Arformoterol SCHEMBL6547706 0.81 ADRB2 (1.00) ADRB2ADRB3ADRB1DRD2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452222-A1 DRY POWDER FORMULATIONS FILLED IN AN INHALER WITH IMPROVED RESISTANCE TO HUMIDITY Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 — — EP disclosed
WO-2023117967-A1 DRY POWDER FORMULATIONS FILLED IN AN INHALER WITH IMPROVED RESISTANCE TO HUMIDITY CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-29 — — WO disclosed
EP-3989971-A1 NOVEL ANTIVIRAL THERAPIES Niklovir AB (SE) 2022-05-04 — — EP disclosed
WO-2020263151-A1 NOVEL ANTIVIRAL THERAPIES NIKLOVIR AB (SE) 2020-12-30 — — WO disclosed
WO-2020152548-A1 STABLE AEROSOL INHALATION COMPOSITIONS OF FORMOTEROL GLENMARK PHARMACEUTICALS LIMITED (IN) 2020-07-30 — — WO disclosed
EP-2076269-A2 FORMULATIONS FOR TREATMENT OF ADIPOSE TISSUE, CUTANEOUS TISSUE AND DISORDERS, AND MUSCULAR TISSUE Lithera, Inc. (US) 2009-07-08 — — EP disclosed
WO-2008067060-A2 FORMULATIONS FOR TREATMENT OF ADIPOSE TISSUE, CUTANEOUS TISSUE AND DISORDERS, AND MUSCULAR TISSUE LITHERA, INC. (US) 2008-06-05 — — WO disclosed
EP-0613371-A1 NEW COMBINATION OF FORMOTEROL AND BUDESONIDE Astra Aktiebolag (SE) 1994-09-07 — — EP disclosed
WO-1993011773-A1 NEW COMBINATION OF FORMOTEROL AND BUDESONIDE AKTIEBOLAGET ASTRA (SE) 1993-06-24 — — WO disclosed
US-5135954-A Preventing or decreasing extravasation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-08-04 — — US disclosed
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