SCHEMBL7914801

SCHEMBL7914801

CN(C)C1CCN(c2nnc(NCc3ccc4c(c3)OOC4)c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.55
PDE2A O00408 2/20 0.37

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
SCHEMBL6593409 0.87 PDE5A (0.63) PDE5A
SCHEMBL7914747 0.85 PDE5A (0.55) PDE5A
SCHEMBL8620057 0.77 PDE5A (0.71) PDE5A
SCHEMBL7904428 0.75 PDE5A (0.54) PDE5APDE2A
SCHEMBL6594486 0.74 PDE5A (0.63) PDE5APDE2A
SCHEMBL5598718 0.73 PDE4A (0.57) PDE5APDE2A
SCHEMBL6592174 0.72 PDE5A (0.58) PDE5APDE2A
SCHEMBL7914746 0.71 PDE4A (0.53) PDE5APDE2A
Hydrochloric Acid SCHEMBL6598895 0.70 PDE5A (1.00) PDE5APDE2A
SCHEMBL27504950 0.70 PDE5A (0.85) PDE5APDE2A

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