SCHEMBL10596136

SCHEMBL10596136

CN1N=C(c2ccc3c(c2)CC(=O)N3)CCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 1.00
PDE4B Q07343 1/20 1.00
PDE4C Q08493 1/20 1.00
PDE4D Q08499 1/20 1.00
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
GRIA1 P42261 3/20 0.49
CACNG8 Q8WXS5 2/20 0.49
PGR P06401 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
BRD4 O60885 2/20 0.45
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
PARP1 P09874 1/20 0.43
AHR P35869 1/20 0.43

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
SCHEMBL11318812 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2930091 0.75 PDE3B (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11406048 0.72 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27859220 0.71 PDE3B (0.64) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11401478 0.71 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11399660 0.71 PDE4B (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11400785 0.71 GAA (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11091805 0.71 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11080764 0.71 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL24364249 0.70 PDE4A (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155798-B1 PYRIDAZONE INOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1989-02-08 EP disclosed
EP-0155798-A1 Pyridazone inotropic agents ELI LILLY AND COMPANY (US) 1985-09-25 EP disclosed