SCHEMBL1919979

SCHEMBL1919979

CC(C)c1ccc(CC[N+](C)(C)CC(O)c2cc(O)cc3c2OCC(=O)N3)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.63
ADRB1 P08588 10/20 0.63

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
SCHEMBL4283475 0.92 ADRB2 (0.63) ADRB2ADRB1
SCHEMBL2784953 0.91 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL5189304 0.90 ADRB2 (0.62) ADRB2ADRB1
Hydrochloric Acid SCHEMBL5582900 0.89 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL5192822 0.89 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL3649801 0.89 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL5606556 0.88 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL3908050 0.87 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL5191034 0.87 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL5165823 0.86 ADRB2 (0.52) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326374-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2011-06-01 EP disclosed
WO-2009153049-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-23 WO disclosed
EP-2029205-A1 ATOMIZER Boehringer Ingelheim International GmbH (DE) 2009-03-04 EP disclosed
EP-2007459-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
EP-2001601-A1 DOSAGE AEROSOLS FOR THE ADMINISTRATION OF PHARMACEUTICAL PREPARATIONS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-12-17 EP disclosed
EP-1942968-A1 INHALER WITH MOUTHPIECE HAVING A MICROBIOLOGICAL PROTECTIVE FUNCTION Boehringer Ingelheim International GmbH (DE) 2008-07-16 EP disclosed
WO-2007141203-A1 ATOMIZER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 WO disclosed
WO-2007118858-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
WO-2007110403-A1 DOSAGE AEROSOLS FOR THE ADMINISTRATION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-10-04 WO disclosed
EP-1781298-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
WO-2007048763-A1 INHALER WITH MOUTHPIECE HAVING A MICROBIOLOGICAL PROTECTIVE FUNCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed