SCHEMBL7904463

SCHEMBL7904463

COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(N4CCC(O)CC4)cc23)cc1Cl

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.85
PDE2A O00408 2/20 0.79

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
Hydrochloric Acid SCHEMBL6595313 0.91 PDE5A (1.00) PDE5APDE2A
SCHEMBL6780463 0.91 PDE5A (0.86) PDE5APDE2A
SCHEMBL7077541 0.90 PDE5A (0.76) PDE5APDE2A
Hydrochloric Acid SCHEMBL6590189 0.90 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779227 0.90 PDE5A (0.76) PDE5APDE2A
Hydrochloric Acid SCHEMBL6778630 0.90 PDE5A (0.84) PDE5APDE2A
Hydrochloric Acid SCHEMBL6780204 0.89 PDE5A (0.74) PDE5APDE2A
SCHEMBL1962546 0.88 PDE5A (1.00) PDE5APDE2A
SCHEMBL6779758 0.87 PDE5A (0.85) PDE5APDE2A
Hydrochloric Acid SCHEMBL4219631 0.87 PDE5A (1.00) 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 4 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
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