SCHEMBL7310545

SCHEMBL7310545

CN(C(=O)CCCOc1ccc2c(c1)CN(C(C=O)N1CCCCC1)C(NC(=O)OC1CCCCC1)=N2)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.58
PDE4B Q07343 10/20 0.58
PDE4C Q08493 10/20 0.58
PDE4D Q08499 10/20 0.58
PDE3B Q13370 11/20 0.52
PDE3A Q14432 11/20 0.52
P2RY12 Q9H244 1/20 0.52

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
SCHEMBL7312632 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10648087 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320452 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310538 0.82 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319863 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306650 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310556 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317292 0.80 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL10649004 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310301 0.78 PDE4A (0.75) 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 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