SCHEMBL7416969

SCHEMBL7416969

COc1ccc([C@@]2(C#N)CCC[C@@H](C(N)=O)C2)cc1OCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.66
PDE4A P27815 18/20 0.66
PDE4C Q08493 18/20 0.66
PDE4D Q08499 18/20 0.66

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
SCHEMBL7416970 1.00 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863406 1.00 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7862312 0.92 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL7417971 0.92 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL7417973 0.92 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL7418766 0.91 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL7861040 0.91 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL7862970 0.91 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL9246898 0.89 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7855470 0.89 PDE4B (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300372-B1 USED IN THERAPY OF ALLERGIC AND INFLAMMATORY DISEASES AND FOR INHIBITING THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) SMITHKLINE BEECHAM CORPORATION 2001-10-09 US claimed
US-6300372-B1 USED IN THERAPY OF ALLERGIC AND INFLAMMATORY DISEASES AND FOR INHIBITING THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) SMITHKLINE BEECHAM CORPORATION 2001-10-09 US disclosed
EP-0714293-A4 3-CYANO-3-(3,4-DISUBSTITUTED)PHENYLCYCLOHEXYL-1-CARBOXYLATES SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed
EP-0714293-A1 3-CYANO-3-(3,4-DISUBSTITUTED)PHENYLCYCLOHEXYL-1-CARBOXYLATES SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP disclosed
WO-1995003794-A1 3-CYANO-3-(3,4-DISUBSTITUTED)PHENYLCYCLOHEXYL-1-CARBOXYLATES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-09 WO disclosed