SCHEMBL7319863

SCHEMBL7319863

CN(C(=O)CCCOc1ccc2c(c1)CN(C(C(=O)O)C(C)(C)c1ccccc1)C(NC(=O)OC1CCCCC1)=N2)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.56
PDE4B Q07343 14/20 0.56
PDE4C Q08493 14/20 0.56
PDE4D Q08499 14/20 0.56
PDE3B Q13370 7/20 0.53
PDE3A Q14432 7/20 0.53
P2RY12 Q9H244 1/20 0.51

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
SCHEMBL10649452 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319857 0.85 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310545 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310301 0.80 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317873 0.80 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317292 0.79 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310538 0.79 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310307 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310179 0.78 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310556 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed