SCHEMBL7914747

SCHEMBL7914747

CCOC(=O)C1CCN(c2nnc(NCc3ccc4c(c3)OOC4)c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.55
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
CASP6 P55212 1/20 0.41
KMT2A Q03164 1/20 0.40
LGALS1 P09382 1/20 0.39

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
SCHEMBL6592174 0.88 PDE5A (0.58) PDE5AMAPTTDP1KMT2A
SCHEMBL7914801 0.85 PDE5A (0.55) PDE5A
SCHEMBL6597884 0.83 PDE5A (0.80) PDE5A
SCHEMBL7904428 0.78 PDE5A (0.54) PDE5A
SCHEMBL6594486 0.77 PDE5A (0.63) PDE5AMAPTKMT2A
SCHEMBL6597081 0.76 PDE4A (0.57) PDE5AMAPTKMT2A
SCHEMBL5598718 0.76 PDE4A (0.57) PDE5ATDP1
Hydrochloric Acid SCHEMBL6606090 0.75 PDE5A (0.48) PDE5AMAPTKMT2A
SCHEMBL7914746 0.74 PDE4A (0.53) PDE5A
SCHEMBL8620057 0.74 PDE5A (0.71) PDE5AMAPTKMT2A

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 2 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 disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed