SCHEMBL8235019

SCHEMBL8235019

COc1cc2ccnc(N3CCCC(CN4CCCCC4=O)C3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTR7 P34969 9/20 0.40
PDE3A Q14432 2/20 0.39
HTR1A P08908 10/20 0.39
PRKDC P78527 1/20 0.39
TTK P33981 1/20 0.39
LMNA P02545 1/20 0.39
PDE10A Q9Y233 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
ENPP1 P22413 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
SCHEMBL8234967 0.86 EHMT2 (0.51) HTR7PDE3AHTR1APRKDCPDE10A
SCHEMBL4717317 0.83 PDE3A (0.43) HCRTR1HCRTR2PDE3APDE10AENPP1
SCHEMBL5479463 0.83 PDE3A (0.43) HCRTR1HCRTR2PDE3APDE10AENPP1
SCHEMBL14341441 0.83 PDE3A (0.43) HCRTR1HCRTR2PDE3APDE10AENPP1
SCHEMBL4975444 0.74 PDE10A (0.43) KDM4EPOLBMAPTL3MBTL1HTR7
SCHEMBL5479465 0.73 HCRTR1 (0.39) KDM4EHCRTR1HCRTR2
SCHEMBL4778173 0.70 KIT (0.40) PDE3APDE10A
SCHEMBL27691688 0.69 HTR1A (0.49) KDM4EPOLBMAPTL3MBTL1HTR1A
SCHEMBL22396575 0.68 IRAK4 (0.52)
SCHEMBL22396619 0.68 IRAK4 (0.52) ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed