SCHEMBL7440929

SCHEMBL7440929

CC(O)C(CCCc1ccccc1)n1cnc2c(=O)[nH]c(Cc3ccc(-c4ccccc4)cc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.54
RNASEH1 O60930 2/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL6052089 0.88 PDE2A (0.49) PDE2ARNASEH1
SCHEMBL7442320 0.86 PDE2A (0.52) PDE2ARNASEH1CCNE2CCNE1CDK2
SCHEMBL6051959 0.84 PDE2A (0.63) PDE2ARNASEH1
SCHEMBL6023263 0.83 PDE2A (0.44) PDE2ARNASEH1
SCHEMBL6023204 0.83 PDE2A (0.51) PDE2ARNASEH1
SCHEMBL6023837 0.83 PDE2A (0.51) PDE2ARNASEH1
SCHEMBL7436563 0.83 PDE2A (0.57) PDE2ARNASEH1CCNE2CCNE1CDK2
SCHEMBL7436632 0.82 PDE2A (0.53) PDE2ACCNE2CCNE1CDK2
SCHEMBL6051979 0.82 PDE2A (0.53) PDE2ACCNE2CCNE1CDK2
SCHEMBL6052132 0.81 PDE2A (0.51) PDE2ACCNE2CCNE1CDK2

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