SCHEMBL6594923

SCHEMBL6594923

COc1ccc(CNc2nnc(NCCCO)c3ccc(C#N)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00

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
SCHEMBL6593075 0.87 PDE5A (0.77) PDE5A
SCHEMBL6594678 0.86 PDE5A (1.00) PDE5A
SCHEMBL7914743 0.86 PDE5A (1.00) PDE5A
SCHEMBL6599213 0.86 PDE5A (0.75) PDE5A
Hydrochloric Acid SCHEMBL6594355 0.85 PDE5A (1.00) PDE5A
SCHEMBL7073912 0.83 PDE5A (0.83) PDE5A
Hydrochloric Acid SCHEMBL6773874 0.83 PDE5A (0.77) PDE5A
Hydrochloric Acid SCHEMBL6777882 0.83 PDE5A (0.77) PDE5A
SCHEMBL7069776 0.81 PDE5A (1.00) PDE5A
Hydrochloric Acid SCHEMBL6597143 0.81 PDE5A (1.00) PDE5A

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