SCHEMBL6998879

SCHEMBL6998879

CC(CCCc1ccccc1)n1[nH]c(=O)c2c(=O)[nH]c(Cc3ccccc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.44
CCNE2 O96020 2/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 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
SCHEMBL6051959 0.80 PDE2A (0.63) PDE2AKMT2AKDM4E
SCHEMBL6993028 0.79 PDE2A (0.47) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL7503850 0.78 PDE2A (0.42) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL2831825 0.77 PDE2A (0.46) PDE2AKMT2A
SCHEMBL6992823 0.77 PDE9A (0.53) PDE2AKMT2A
SCHEMBL6987648 0.76 PDE2A (0.47) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL7438629 0.76 PDE2A (0.44) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL7499444 0.75 PDE2A (0.40) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL7436563 0.75 PDE2A (0.57) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL6051965 0.75 PDE2A (0.57) PDE2AKMT2A

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
EP-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
US-6174884-B1 CARDIOVASCULAR DISORDERS; CEREBROVASCULAR DISEASES; VASCULAR SYSTEM DISORDERS, ESPECIALLY THE PERIPHERAL BLOOD VESSELS; UROGENITAL DISORDERS; HYPOTENSIVE AGENTS; ANTIARRYTHMIA AND -ISCHEMIC AGENTS; PHOSPHODIESTERASE ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed