SCHEMBL6597005

SCHEMBL6597005

COc1ccc(CNc2nnc(N3CCC(=O)CC3)c3ccc(C#N)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE2A O00408 2/20 0.78

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 SCHEMBL6598637 0.99 PDE5A (1.00) PDE5APDE2A
SCHEMBL7984990 0.91 PDE5A (1.00) PDE5APDE2A
SCHEMBL7983492 0.89 PDE5A (1.00) PDE5APDE2A
SCHEMBL7987641 0.89 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779299 0.89 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL6774439 0.89 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL6726612 0.88 PDE5A (0.86) PDE5APDE2A
Hydrochloric Acid SCHEMBL6598629 0.88 PDE5A (0.80) PDE5A
SCHEMBL6778021 0.88 PDE5A (0.77) PDE5A
SCHEMBL7076567 0.87 PDE5A (0.81) 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
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