SCHEMBL6592174

SCHEMBL6592174

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.58
MAPT P10636 5/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE2A O00408 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6594486 0.89 PDE5A (0.63) PDE5AMAPTKMT2APOLBALDH1A1
SCHEMBL6597081 0.88 PDE4A (0.57) PDE5AMAPTKMT2AALDH1A1PDE4A
SCHEMBL7914747 0.88 PDE5A (0.55) PDE5AMAPTKMT2ATDP1
Hydrochloric Acid SCHEMBL6606090 0.87 PDE5A (0.48) PDE5AMAPTKMT2APOLBALDH1A1
SCHEMBL7417021 0.85 PDE4A (0.62) PDE5AMAPTKMT2APOLBALDH1A1
SCHEMBL7913140 0.85 PDE5A (0.46) PDE5AMAPTKMT2APOLBALDH1A1
SCHEMBL7911667 0.85 PDE4A (0.57) PDE5AMAPTKMT2AALDH1A1PDE4A
SCHEMBL6593409 0.85 PDE5A (0.63) PDE5AMAPTKMT2APOLBALDH1A1
SCHEMBL6597884 0.85 PDE5A (0.80) PDE5APDE2A
SCHEMBL7904532 0.83 KDM4E (0.46) PDE5AMAPTKMT2APOLBALDH1A1

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