SCHEMBL7436563

SCHEMBL7436563

CC(CCCc1ccccc1)n1cnc2c(=O)[nH]c(Cc3ccc(O)cc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.57
RNASEH1 O60930 2/20 0.39
GFER P55789 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DAO P14920 1/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.94 PDE2A (0.63) PDE2ARNASEH1ADORA3KMT2A
SCHEMBL6051965 0.91 PDE2A (0.57) PDE2AADORA3KMT2A
SCHEMBL7442300 0.91 PDE2A (0.57) PDE2AADORA3CCNE2CCNE1CDK2
SCHEMBL7436632 0.87 PDE2A (0.53) PDE2AADORA3CCNB2CCNE2CDK1
SCHEMBL6052132 0.85 PDE2A (0.51) PDE2AADORA3CCNE2CCNE1CDK2
SCHEMBL6051979 0.84 PDE2A (0.53) PDE2AADORA3CCNB2CCNE2CDK1
SCHEMBL7443572 0.83 PDE2A (0.66) PDE2ARNASEH1ADORA3CCNB2CDK1
SCHEMBL7440929 0.83 PDE2A (0.54) PDE2ARNASEH1CCNE2CCNE1CDK2
SCHEMBL7442320 0.81 PDE2A (0.52) PDE2ARNASEH1ADORA3CCNE2CCNE1
SCHEMBL7435951 0.80 PDE2A (0.46) PDE2AADORA3

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-5861396-A CARDIOVASCULAR DISORDERS AND UROGENITAL SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0771799-A1 Purin-6-one derivatives BAYER AG (DE) 1997-05-07 EP disclosed