SCHEMBL6600702

SCHEMBL6600702

FC(F)(F)CCOc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
MCHR1 Q99705 1/20 0.49
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
EPHX2 P34913 4/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PDE10A Q9Y233 1/20 0.37
NCF1 P14598 2/20 0.37
NOS2 P35228 1/20 0.36
BACE1 P56817 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL6607250 0.83 MEN1 (0.51) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL9663555 0.81 MAPT (0.61) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL9199234 0.77 MEN1 (0.61) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL4269051 0.77 MEN1 (0.61) MEN1MAPTKMT2AMCHR1CYSLTR2
SCHEMBL5735971 0.77 MEN1 (0.61) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL30060467 0.77 MEN1 (0.61) MEN1MAPTKMT2AMCHR1CYSLTR2
SCHEMBL9191448 0.77 MAPT (0.61) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL28628097 0.77 MEN1 (0.56) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL30704390 0.76 MEN1 (0.59) MEN1MAPTKMT2AHDAC1HDAC8
SCHEMBL27696506 0.76 MAPT (0.59) MEN1MAPTKMT2ACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed