SCHEMBL6925796

SCHEMBL6925796

COc1ccc([C@]2(c3ccc(-c4cnc(N)nc4)cc3)CC[C@@H](N)CC2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.48
PDE4B Q07343 14/20 0.48
PDE4C Q08493 14/20 0.48
PDE4D Q08499 14/20 0.48
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41

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
SCHEMBL6923149 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6923150 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL12845204 0.92 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6927006 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6929386 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6929636 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6898320 0.88 PDE4B (0.58) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL7058287 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6925141 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCTSD
SCHEMBL6925146 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCTSD

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-6518306-B1 PDE4 inhibitors particularly in regards to treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2003-02-11 US claimed
US-6518306-B1 PDE4 inhibitors particularly in regards to treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed