SCHEMBL6051979

SCHEMBL6051979

CC(CCCc1ccccc1)n1cnc2c(=O)[nH]c(Cc3ccc(-c4cccc(N)c4)cc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.53
PNP P00491 2/20 0.37
CCNE2 O96020 7/20 0.36
CCNE1 P24864 7/20 0.36
CDK2 P24941 7/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
CCNA2 P20248 6/20 0.34
CCNA1 P78396 6/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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 0.88 PDE2A (0.63) PDE2APNPADORA3
SCHEMBL7436632 0.86 PDE2A (0.53) PDE2ACCNE2CCNE1CDK2CCNB2
SCHEMBL6051965 0.84 PDE2A (0.57) PDE2APNPADORA3
SCHEMBL7436563 0.84 PDE2A (0.57) PDE2ACCNE2CCNE1CDK2CCNB2
SCHEMBL7442300 0.84 PDE2A (0.57) PDE2APNPCCNE2CCNE1CDK2
SCHEMBL6052132 0.84 PDE2A (0.51) PDE2ACCNE2CCNE1CDK2CCNA2
SCHEMBL7440929 0.82 PDE2A (0.54) PDE2ACCNE2CCNE1CDK2
SCHEMBL6051982 0.82 CDK1 (0.38) CCNE2CCNE1CDK2CDK1CCNB1
SCHEMBL6052100 0.81 PDE2A (0.44) PDE2APNPCCNE2CCNE1CDK2
SCHEMBL7442320 0.80 PDE2A (0.52) PDE2APNPCCNE2CCNE1CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US claimed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP claimed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO claimed
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US disclosed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP disclosed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO disclosed