SCHEMBL118139

SCHEMBL118139

OCc1cc(CC(O)NCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.66
▸ ADRB1 P08588 15/20 0.66
▸ SLC6A2 P23975 2/20 0.66
▸ HTR2A P28223 2/20 0.66
▸ SLC6A4 P31645 2/20 0.66
▸ ADRA1A P35348 2/20 0.66
▸ SLC6A3 Q01959 2/20 0.66
▸ MLNR O43193 1/20 0.66
▸ NR1I2 O75469 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ DRD1 P21728 1/20 0.66
▸ PTGS2 P35354 1/20 0.66
▸ MC3R P41968 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ SCN5A Q14524 1/20 0.66
▸ GHSR Q92847 1/20 0.66
▸ ADRB3 P13945 14/20 0.60
▸ KDM4E B2RXH2 1/20 0.45
▸ HTR1A P08908 1/20 0.45

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
SCHEMBL23012291 1.00 ADRB2 (0.66) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL22035288 0.83 ADRB2 (0.69) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL23931055 0.81 ADRB2 (0.64) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL23012741 0.81 ADRB2 (0.47) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL14119565 0.81 ADRB2 (0.47) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL928189 0.80 ADRB2 (1.00) ADRB2ADRB1SLC6A2HTR2ASLC6A4
Vilanterol SCHEMBL15614685 0.80 ADRB2 (1.00) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL17031687 0.80 ADRB2 (1.00) ADRB2ADRB1SLC6A2HTR2ASLC6A4
Vilanterol SCHEMBL142630 0.80 ADRB2 (1.00) ADRB2ADRB1SLC6A2HTR2ASLC6A4
Vilanterol SCHEMBL29623445 0.80 ADRB2 (1.00) ADRB2ADRB1SLC6A2HTR2ASLC6A4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131582-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2017-02-22 — — EP disclosed
WO-2015160787-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-10-22 — — WO disclosed
EP-2749283-A2 Combination of glycopyrronium and olodaterol Cipla Limited (IN) 2014-07-02 — — EP disclosed
EP-2651891-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-10-23 — — EP disclosed
EP-2651932-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-10-23 — — EP disclosed
EP-2245026-B1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2012-08-01 — — EP disclosed
WO-2012080457-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — WO disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — WO disclosed
EP-2424603-A1 INHALATION DEVICE Boehringer Ingelheim International GmbH (DE) 2012-03-07 — — EP disclosed
EP-2408571-A2 RESERVOIR AND ATOMIZER Boehringer Ingelheim International GmbH (DE) 2012-01-25 — — EP disclosed
EP-1941263-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES Boehringer Ingelheim International GmbH (DE) 2008-07-09 — — EP disclosed
WO-2008034506-A1 PISTON DOSING PUMP BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — WO disclosed
WO-2007141203-A1 ATOMIZER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 — — WO disclosed
WO-2007128381-A1 ATOMIZER AND METHOD OF ATOMIZING FLUID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 — — WO disclosed
WO-2007118342-A2 MEDICAMENT CARRIER FOR AN INHALER, AND MULTIDOSE POWDER INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed
WO-2007118858-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed
WO-2007118648-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed
WO-2007062726-A2 DISPENSING DEVICE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-07 — — WO disclosed
WO-2007062745-A2 INHALER AND STORE FOR A DRY MEDICAMENT FORMULATION AND RELATED METHODS AND USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-07 — — WO disclosed
WO-2007045670-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-26 — — WO disclosed
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