SCHEMBL7442320

SCHEMBL7442320

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.52
▸ RNASEH1 O60930 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CCNE2 O96020 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ PNP P00491 1/20 0.35

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
SCHEMBL359546 0.87 PDE2A (0.51) PDE2ARNASEH1ALDH1A1CCNE2CCNE1
SCHEMBL7440929 0.86 PDE2A (0.54) PDE2ARNASEH1CCNE2CCNE1CDK2
SCHEMBL6024717 0.83 PDE2A (0.46) PDE2ARNASEH1KMT2AKDM4EALDH1A1
SCHEMBL6023491 0.83 PDE2A (0.44) PDE2ARNASEH1PNP
SCHEMBL6024368 0.83 PDE2A (0.46) PDE2ARNASEH1ALDH1A1CCNE2CCNE1
SCHEMBL6023455 0.83 PDE2A (0.43) PDE2ARNASEH1CCNE2CCNE1CDK2
SCHEMBL6051959 0.82 PDE2A (0.63) PDE2ARNASEH1KMT2AKDM4EADORA3
SCHEMBL7436563 0.81 PDE2A (0.57) PDE2ARNASEH1KMT2AADORA3CCNE2
SCHEMBL7436632 0.81 PDE2A (0.53) PDE2AKMT2AKDM4EALDH1A1ADORA3
SCHEMBL6051979 0.80 PDE2A (0.53) PDE2AADORA3RXFP1CCNE2CCNA2

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
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