SCHEMBL6174455

SCHEMBL6174455

COc1ccc([C@]2(C#Cc3ccccn3)CC[C@@H](N)CC2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.48
▸ PDE4B Q07343 19/20 0.48
▸ PDE4C Q08493 19/20 0.48
▸ PDE4D Q08499 19/20 0.48

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
SCHEMBL6173191 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6173185 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6172118 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6172114 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7371753 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL7377930 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL8508831 0.88 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL7390757 0.87 PDE4B (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8472391 0.87 PDE4B (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8475648 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 — — WO claimed
EP-0794774-B1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-12 — — EP disclosed
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 — — EP disclosed
US-6369108-B1 CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD). SMITHKLINE BEECHAM CORPORATION 2002-04-09 — — US disclosed
US-5977122-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 — — US disclosed
US-5891883-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-04-06 — — US disclosed
EP-0828493-A4 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-09-02 — — EP disclosed
EP-0828493-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-18 — — EP disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 — — WO disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 — — WO disclosed
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