SCHEMBL2479640

SCHEMBL2479640

COc1ccc(C2CCNC2)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 1.00
PDE4A P27815 11/20 0.65
PDE4C Q08493 9/20 0.65
PDE4D Q08499 9/20 0.65
CYP3A4 P08684 2/20 0.65
VEGFA P15692 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX15 P16050 1/20 0.65
CREBBP Q92793 1/20 0.65
KDM4E B2RXH2 1/20 0.65
PDE5A O76074 1/20 0.65
TNF P01375 1/20 0.65
MAPK1 P28482 1/20 0.65
BLM P54132 1/20 0.65
PDE1A P54750 1/20 0.65
PDE1B Q01064 1/20 0.65

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
SCHEMBL30291084 1.00 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7094968 0.93 PDE4B (0.87) PDE4BPDE4APDE4CPDE4DCYP3A4
Hydrochloric Acid SCHEMBL3179865 0.92 PDE4B (0.85) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL3648073 0.88 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9167416 0.85 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9062953 0.84 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7929728 0.81 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL4919377 0.81 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL3261886 0.81 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9772874 0.81 HTR2A (0.70) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373366-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2011-10-12 EP disclosed
EP-2244686-A1 METHOD AND DEVICE FOR FILLING CAPSULES Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2010063645-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 WO disclosed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
WO-2009098083-A1 METHOD AND DEVICE FOR FILLING CAPSULES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
US-5545647-A PHOSPHODIESTERASE INHIBITORS; ANTIASTHMATICS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-13 US disclosed
EP-0671389-A1 3-Phenylpyrrolidine derivatives Mitsubishi Chemical Corporation (JP) 1995-09-13 EP disclosed