SCHEMBL10745652

SCHEMBL10745652

O=C1CCC(c2ccc(-n3ccc(CO)c3)cc2)=NN1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.65
PDE3A Q14432 9/20 0.65
LMNA P02545 2/20 0.58
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
PDE2A O00408 3/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 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
SCHEMBL7312349 0.81 SMN1; SMN2 (0.62) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7318837 0.80 PDE3B (0.68) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7277863 0.79 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7287604 0.78 PDE3B (0.70) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL10599509 0.76 PDE3B (0.61) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7286021 0.76 PDE3B (0.70) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL10353452 0.74 SMN1; SMN2 (0.81) PDE3BPDE3ALMNAPDE4APDE4B
Imazodan SCHEMBL148436 0.74 PDE3B (1.00) PDE3BPDE3ALMNAPDE4APDE4B
Imazodan SCHEMBL124243 0.73 PDE3B (0.97) PDE3BPDE3ALMNAPDE4APDE4B
SCHEMBL7358963 0.73 SMN1; SMN2 (0.58) PDE3BPDE3ALMNAPDE4APDE4B

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-4710496-A ANTICOAGULANTS, HYPOTENSIVE AGENTS, GASTRIC ACID INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1987-12-01 US claimed