SCHEMBL18796702

SCHEMBL18796702

CCOC(=O)c1cc(Cc2ccccc2)c(=O)n2c1CCCC2

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.94
PDE3A Q14432 11/20 0.94
GAA P10253 4/20 0.45
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRB2 P47870 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL16140677 0.97 PDE3B (1.00) PDE3BPDE3AGAAALDH1A1GABRA1
SCHEMBL16140693 0.91 PDE3B (0.86) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL18796767 0.90 PDE3B (0.96) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL18796662 0.90 PDE3B (0.96) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL18796762 0.90 PDE3B (0.96) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL16140686 0.90 PDE3B (0.84) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL18796705 0.89 PDE3B (0.74) PDE3BPDE3AGAAALDH1A1TP53
SCHEMBL18796678 0.89 PDE3B (0.78) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL18796739 0.89 PDE3B (0.94) PDE3BPDE3AGAAALDH1A1ALOX15
SCHEMBL18796778 0.89 PDE3B (0.94) PDE3BPDE3AGAAALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 WO claimed
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 WO disclosed
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 WO disclosed