SCHEMBL7862279

SCHEMBL7862279

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.59
PDE4A P27815 17/20 0.59
PDE4C Q08493 17/20 0.59
PDE4D Q08499 17/20 0.59
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL7862283 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL7862294 1.00 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL7400233 0.87 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL7400235 0.87 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL7499426 0.87 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL6546408 0.87 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416969 0.84 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7417971 0.84 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863406 0.84 PDE4B (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7862312 0.84 PDE4B (0.74) 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 2 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