SCHEMBL7914746

SCHEMBL7914746

O=C(O)C1CCN(c2nnc(NCc3ccc4c(c3)OOC4)c3ccc(Cl)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
PDE5A O76074 18/20 0.50
PDE2A O00408 2/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46

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
SCHEMBL7904428 0.97 PDE5A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7904575 0.86 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6031648 0.84 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9095949 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6594377 0.82 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6595087 0.77 PDE5A (0.81) PDE5APDE2A
SCHEMBL7911667 0.75 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7914747 0.74 PDE5A (0.55) PDE5A
SCHEMBL7918152 0.72 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5598718 0.72 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A

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
US-6218392-B1 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, MYOCARDIAL INFARCT AND CHRONIC AND ACUTE CARDIAC FAILURE, PULMONARY HYPERTENSION, ARTERIOSCLEROSIS AND BRONCHIAL ASTHMA EISAI CO., LTD. (JP) 2001-04-17 US disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed