SCHEMBL5190891

SCHEMBL5190891

C[N+](C)(CCc1cc(F)cc(F)c1)CC(O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.49
ADRB1 P08588 9/20 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
SCHEMBL5189051 0.90 ADRB2 (0.44) ADRB2ADRB1
SCHEMBL5165194 0.85 ADRB2 (0.65) ADRB2ADRB1
SCHEMBL20321903 0.82 ADRB2 (0.54) ADRB2ADRB1
Fumaric Acid SCHEMBL5582503 0.81 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL564792 0.81 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL12594506 0.81 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL561768 0.80 ADRB2 (0.53) ADRB2ADRB1
Hydrochloric Acid SCHEMBL5582900 0.79 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL5164807 0.78 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL3908050 0.78 ADRB2 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809293-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS Boehringer Ingelheim International GmbH (DE) 2007-07-25 EP disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 WO disclosed