SCHEMBL6594486

SCHEMBL6594486

O=C(O)C1CCN(c2nnc(NCc3ccc4c(c3)OCO4)c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.63
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PDE2A O00408 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RHOA P61586 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCHR1 Q99705 1/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6592174 0.89 PDE5A (0.58) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6593409 0.87 PDE5A (0.63) PDE5AMAPTALDH1A1KMT2APOLB
SCHEMBL6594377 0.87 PDE4A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL146298 0.85 PDE4A (0.76) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7904575 0.83 PDE4A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7914604 0.83 PDE4A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6598334 0.82 PDE5A (0.84) PDE5APDE2A
SCHEMBL7918152 0.82 PDE4A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6596617 0.81 PDE5A (0.84) PDE5APDE2A
SCHEMBL6598949 0.78 PDE5A (0.67) PDE5AMAPTKMT2APOLBSMN1; SMN2

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