SCHEMBL6597241

SCHEMBL6597241

COc1ccc(CNc2nnc(Cl)c3ccc([N+](=O)[O-])cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 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
SCHEMBL7918154 0.96 PDE5A (0.92) PDE5A
SCHEMBL6595419 0.84 PDE5A (1.00) PDE5A
SCHEMBL6596748 0.82 PDE5A (0.80) PDE5A
Ammonia Solution, Strong SCHEMBL27468607 0.82 PDE5A (0.70) PDE5A
SCHEMBL6778244 0.82 PDE5A (0.79) PDE5A
SCHEMBL6778711 0.81 PDE5A (0.78) PDE5A
Hydrochloric Acid SCHEMBL6598895 0.81 PDE5A (1.00) PDE5A
SCHEMBL27504654 0.81 PDE5A (0.76) PDE5A
SCHEMBL6596922 0.80 PDE5A (0.78) PDE5A
SCHEMBL27504950 0.80 PDE5A (0.85) 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 7 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
CN-1151136-C Condensed pyridazine compound ������������ʽ���� 2004-05-26 CN disclosed
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
CN-1135210-A Fused pyridazine compound EISAI CO LTD (JP) 1996-11-06 CN disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed