SCHEMBL6593409

SCHEMBL6593409

CN(C)C1CCN(c2nnc(NCc3ccc4c(c3)OCO4)c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.63
MAPT P10636 4/20 0.48
MCHR1 Q99705 2/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6594486 0.87 PDE5A (0.63) PDE5AMAPTMCHR1ALDH1A1KMT2A
SCHEMBL7914801 0.87 PDE5A (0.55) PDE5A
SCHEMBL6592174 0.85 PDE5A (0.58) PDE5AMAPTMCHR1ALDH1A1KMT2A
SCHEMBL6598949 0.78 PDE5A (0.67) PDE5AMAPTMCHR1KMT2APOLB
SCHEMBL6594403 0.78 PDE5A (1.00) PDE5AMAPTMCHR1ALDH1A1KMT2A
SCHEMBL7911677 0.76 PDE5A (1.00) PDE5AMAPTMCHR1ALDH1A1KMT2A
SCHEMBL6594377 0.73 PDE4A (0.72) PDE5AALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL7914747 0.72 PDE5A (0.55) PDE5AMAPTKMT2ATDP1
SCHEMBL9029062 0.72 PDE5A (0.67) PDE5A
Hydrochloric Acid SCHEMBL6598895 0.72 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