SCHEMBL7312632

SCHEMBL7312632

CN(C(=O)CCCOc1ccc2c(c1)CN(C(C=O)N1CCCCC1)C(NC(=O)NC1CCCCC1)=N2)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.55
PDE4B Q07343 8/20 0.55
PDE4C Q08493 8/20 0.55
PDE4D Q08499 8/20 0.55
PDE3B Q13370 13/20 0.52
PDE3A Q14432 13/20 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
SCHEMBL7310545 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10648087 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306650 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312624 0.82 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312639 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313490 0.80 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL10649004 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312385 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311099 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306415 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