SCHEMBL6596922

SCHEMBL6596922

COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc([N+](=O)[O-])cc23)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 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
SCHEMBL27504654 0.88 PDE5A (0.76) PDE5A
SCHEMBL27447976 0.88 PDE5A (0.83) PDE5A
SCHEMBL27504950 0.88 PDE5A (0.85) PDE5A
Hydrochloric Acid SCHEMBL6595391 0.87 PDE5A (0.83) PDE5A
Hydrochloric Acid SCHEMBL6597649 0.87 PDE5A (0.85) PDE5A
Hydrochloric Acid SCHEMBL6598895 0.87 PDE5A (1.00) PDE5A
SCHEMBL6598334 0.85 PDE5A (0.84) PDE5A
Hydrochloric Acid SCHEMBL6596617 0.85 PDE5A (0.84) PDE5A
SCHEMBL6596543 0.84 PDE5A (1.00) PDE5A
Hydrochloric Acid SCHEMBL6593234 0.83 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288064-B1 PHOSPHODIESTERASE INHIBITORS; PHTHALAZINE DERIVATIVES EISAI CO., LTD. (JP) 2001-09-11 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 claimed
EP-0920868-A1 REMEDY FOR ERECTION FAILURE COMPRISING FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1999-06-09 EP 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