SCHEMBL27657195

SCHEMBL27657195

COc1ccc(CC(C)NC[C@@H](O)c2ccc(O)c(N)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.69
▸ ADRB1 P08588 5/20 0.69
▸ ADRB3 P13945 3/20 0.69
▸ DRD2 P14416 2/20 0.69
▸ SLC6A4 P31645 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ PGR P06401 1/20 0.69
▸ PTGS2 P35354 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ DRD3 P35462 1/20 0.69
▸ HTR1A P08908 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56

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
SCHEMBL721150 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL593753 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL593754 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL15271352 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL29866225 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL11810215 0.89 ADRB2 (0.73) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL4684534 0.89 ADRA1A (0.71) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL594466 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL594467 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3DRD2SLC6A4
Salmefamol SCHEMBL18458 0.85 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101636144-A Inhalation formulations containing sulfoalkyl ether cyclodextrins and corticosteroids CYDEX INC 2010-01-27 — — CN claimed
CN-1976679-A Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX INC (US) 2007-06-06 — — CN claimed
CN-1921830-A Inhalant formulation containing sulfoalkyl ether gamma-cyclodextrin and corticosteroid CYDEX INC (US) 2007-02-28 — — CN claimed
CN-1921834-A Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid prepared from a unit dose suspension CYDEX INC (US) 2007-02-28 — — CN claimed
CN-102319231-A The suction preparation that contains sulfoalkyl ether cyclodextrin and corticosteroid CYDEX PHARMACEUTICALS INC 2012-01-18 — — CN disclosed
CN-1976679-B Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX INC 2011-08-31 — — CN disclosed
CN-101636144-A Inhalation formulations containing sulfoalkyl ether cyclodextrins and corticosteroids CYDEX INC 2010-01-27 — — CN disclosed
CN-101098678-A Dpi formulation containing sulfoalkyl ether cyclodextrin CYDEX INC (US) 2008-01-02 — — CN disclosed
CN-1976679-A Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX INC (US) 2007-06-06 — — CN disclosed
CN-1921830-A Inhalant formulation containing sulfoalkyl ether gamma-cyclodextrin and corticosteroid CYDEX INC (US) 2007-02-28 — — CN disclosed
CN-1921834-A Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid prepared from a unit dose suspension CYDEX INC (US) 2007-02-28 — — CN disclosed
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