SCHEMBL3908050

SCHEMBL3908050

CCOc1ccc(CC[N+](C)(C)CC(O)c2cc(O)cc3c2OCC(=O)N3)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.64
ADRB1 P08588 11/20 0.64
CHRM2 P08172 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
HTR2A P28223 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
PTGS2 P35354 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 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
Fumaric Acid SCHEMBL5190383 0.94 ADRB2 (0.58) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL5192822 0.93 ADRB2 (0.70) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL3649801 0.93 ADRB2 (0.70) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL2784953 0.91 ADRB2 (0.61) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL4283475 0.91 ADRB2 (0.63) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL5189304 0.88 ADRB2 (0.62) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL5582900 0.87 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL1919979 0.87 ADRB2 (0.63) ADRB2ADRB1
SCHEMBL3634485 0.85 ADRB2 (0.55) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL5606556 0.85 ADRB2 (0.54) ADRB2ADRB1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023990-A1 ADAPTER WITH AN ATTACHMENT FOR AN ATOMIZER Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
EP-2018201-A1 ATOMISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
EP-2007459-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
EP-2007458-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
EP-2007456-A1 MOUTHPIECE FOR AN INHALER Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-12-31 EP disclosed
EP-1954400-A2 DISPENSING DEVICE Boehringer Ingelheim International GmbH (DE) 2008-08-13 EP disclosed
EP-1942968-A1 INHALER WITH MOUTHPIECE HAVING A MICROBIOLOGICAL PROTECTIVE FUNCTION Boehringer Ingelheim International GmbH (DE) 2008-07-16 EP disclosed
WO-2007141201-A1 ADAPTER WITH AN ATTACHMENT FOR AN ATOMIZER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 WO disclosed
WO-2007134794-A1 ATOMISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007118858-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
WO-2007118800-A1 MOUTHPIECE FOR AN INHALER BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007116002-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007062726-A2 DISPENSING DEVICE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-07 WO disclosed
WO-2007048763-A1 INHALER WITH MOUTHPIECE HAVING A MICROBIOLOGICAL PROTECTIVE FUNCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed