SCHEMBL9749339

SCHEMBL9749339

CCOC(=O)CCc1nsnc1OCC(O)CNC(C)C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 1/20 0.39

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
SCHEMBL9749867 0.90 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL10991737 0.89 ADRB2 (0.35) ADRB2ADRB1
SCHEMBL9749846 0.86 ADRB2 (0.43) ADRB2ADRB1ADRB3
SCHEMBL9749811 0.86 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL10372339 0.85 LMNA (0.39)
SCHEMBL10997074 0.83 CASR (0.41) ADRB2ADRB1ADRB3
SCHEMBL10989125 0.83 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL9749810 0.81 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL11755459 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3
SCHEMBL11755467 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3

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-0131006-B1 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-10 EP claimed
EP-0131006-A4 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-06-06 EP claimed
US-4508725-A BETA-ADRENERGIC BLOCKING AGENTS; GLAUCOMA TREATMENT AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-04-02 US claimed
EP-0131006-A1 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-01-16 EP claimed
WO-1984002525-A1 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES AMERICAN HOSPITAL SUPPLY CORP (US) 1984-07-05 WO claimed
EP-0131006-B1 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-10 EP disclosed
EP-0131006-A4 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-06-06 EP disclosed
US-4508725-A BETA-ADRENERGIC BLOCKING AGENTS; GLAUCOMA TREATMENT AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-04-02 US disclosed
EP-0131006-A1 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-01-16 EP disclosed
WO-1984002525-A1 ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES AMERICAN HOSPITAL SUPPLY CORP (US) 1984-07-05 WO disclosed