SCHEMBL6598949

SCHEMBL6598949

O=[N+]([O-])c1ccc2c(-n3ccnc3)nnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.67
MAPT P10636 3/20 0.53
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL6594403 0.81 PDE5A (1.00) PDE5AMAPTKMT2APOLBMEN1
SCHEMBL7911677 0.79 PDE5A (1.00) PDE5AMAPTKMT2APOLBMEN1
SCHEMBL6594486 0.78 PDE5A (0.63) PDE5AMAPTKMT2APOLBMEN1
SCHEMBL6593409 0.78 PDE5A (0.63) PDE5AMAPTKMT2APOLBMEN1
SCHEMBL6592174 0.75 PDE5A (0.58) PDE5AMAPTKMT2APOLBSMN1; SMN2
SCHEMBL5114371 0.73 PDE5A (0.48) PDE5AMAPT
SCHEMBL9921503 0.72 PDE5A (0.69) PDE5AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7420304 0.71 PDE5A (0.68) PDE5AMAPTKMT2APOLBMEN1
SCHEMBL5124235 0.68 PDE5A (0.48) PDE5AMAPTKMT2AMEN1CRHBP
SCHEMBL7418282 0.67 PDE5A (0.64) PDE5AKMT2AMEN1SMN1; SMN2

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
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
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed