SCHEMBL7563149

SCHEMBL7563149

N#CC1CC(C#N)(c2ccc(OC(F)F)c(OCC3CC3)c2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.45
PDE4A P27815 11/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
PDE1C Q14123 2/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL5306792 0.87 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL29008297 0.87 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL7418879 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL7467100 0.85 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5982118 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL109922 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL29360419 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5184516 0.81 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL7415618 0.79 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL146818 0.79 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DABCB11

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