SCHEMBL4283475

SCHEMBL4283475

C[N+](C)(CCc1ccc(O)cc1)CC(O)c1cc(O)cc2c1OCC(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.63
ADRB1 P08588 10/20 0.62
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
PTGS2 P35354 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL2784953 0.94 ADRB2 (0.61) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL5189304 0.93 ADRB2 (0.62) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL3649801 0.92 ADRB2 (0.70) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL1919979 0.92 ADRB2 (0.63) ADRB2ADRB1
SCHEMBL5192822 0.92 ADRB2 (0.70) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL5582900 0.92 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL3908050 0.91 ADRB2 (0.64) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL5606556 0.90 ADRB2 (0.54) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL3634485 0.90 ADRB2 (0.55) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL5189286 0.89 ADRB2 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009153049-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-23 WO disclosed
EP-2007459-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
EP-2007649-A1 TWO-PIECE METAL CAPSULE FOR ACCOMMODATING PHARMACEUTICAL PREPARATIONS FOR POWDER INHALERS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-12-31 EP disclosed
EP-1942968-A1 INHALER WITH MOUTHPIECE HAVING A MICROBIOLOGICAL PROTECTIVE FUNCTION Boehringer Ingelheim International GmbH (DE) 2008-07-16 EP disclosed
WO-2007118858-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
WO-2007118857-A1 TWO-PIECE METAL CAPSULE FOR ACCOMMODATING PHARMACEUTICAL PREPARATIONS FOR POWDER INHALERS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007048763-A1 INHALER WITH MOUTHPIECE HAVING A MICROBIOLOGICAL PROTECTIVE FUNCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed