SCHEMBL6594377

SCHEMBL6594377

O=C(O)C1CCN(c2nnc(NCc3ccc4c(c3)OCO4)c3cc(Cl)ccc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.72
PDE4B Q07343 2/20 0.72
PDE4C Q08493 2/20 0.72
PDE4D Q08499 2/20 0.72
PDE5A O76074 16/20 0.62
PDE2A O00408 1/20 0.62
PDE1A P54750 1/20 0.62
PDE1B Q01064 1/20 0.62
PDE1C Q14123 1/20 0.62
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7904575 0.97 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6597081 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6594486 0.87 PDE5A (0.63) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7914604 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7904428 0.86 PDE5A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7911667 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7918152 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL149748 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5917668 0.83 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DPDE5A
Potassium SCHEMBL7504150 0.83 PDE4A (0.98) 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 5 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 claimed
EP-0722936-B1 FUSED PYRIDAZINE COMPOUND EISAI CO LTD (JP) 2004-05-19 EP disclosed
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
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed