SCHEMBL7467100

SCHEMBL7467100

N#CC1(c2ccc(OC(F)F)c(OCC3CC3)c2)CCC(=O)C(C(N)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.49
PDE4A P27815 12/20 0.49
PDE4C Q08493 12/20 0.49
PDE4D Q08499 12/20 0.49
PDE1C Q14123 4/20 0.41
ABCB11 O95342 1/20 0.39

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
SCHEMBL7418879 0.92 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL109922 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL29360419 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL7419008 0.89 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL7563149 0.85 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5982118 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5306792 0.84 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL9246898 0.84 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL29008297 0.84 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL7416606 0.81 PDE4B (0.60) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed
US-5449686-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US claimed
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP disclosed
US-5811455-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1998-09-22 US disclosed
US-5631286-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
US-5449686-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US disclosed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP disclosed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed