SCHEMBL7450822

SCHEMBL7450822

COc1ccc(-c2ccc(N)cc2)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.71
PDE4B Q07343 8/20 0.71
PDE4C Q08493 8/20 0.71
PDE4D Q08499 8/20 0.71
FPR2 P25090 1/20 0.52
POLB P06746 1/20 0.51
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51

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
SCHEMBL5823060 0.91 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL987135 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6798284 0.87 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7696540 0.86 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5704547 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8209414 0.85 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5818764 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8461866 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7440108 0.83 PDE4B (1.00) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7417302 0.83 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745063-B1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PROD (US) 1999-03-24 EP disclosed
US-5691376-A ANTIHISTAMINE, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-25 US disclosed
US-5650444-A BRONCHODILATOR AGENTS, ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-07-22 US disclosed
EP-0745063-A1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-04 EP disclosed
WO-1995022520-A1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-24 WO disclosed