SCHEMBL7904428

SCHEMBL7904428

O=C(O)C1CCN(c2nnc(NCc3ccc4c(c3)OOC4)c3cc(Cl)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.54
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
PDE2A O00408 3/20 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
SCHEMBL7914746 0.97 PDE4A (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6594377 0.86 PDE4A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6031648 0.84 PDE4A (0.75) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9095949 0.84 PDE4A (0.73) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7904575 0.82 PDE4A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6595087 0.80 PDE5A (0.81) PDE5APDE2A
SCHEMBL7914747 0.78 PDE5A (0.55) PDE5A
SCHEMBL6597081 0.75 PDE4A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7914801 0.75 PDE5A (0.55) PDE5APDE2A
SCHEMBL6594486 0.73 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D

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