SCHEMBL4740352

SCHEMBL4740352

[CH2]c1c(F)cc(OCC2CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.44
PARP15 Q460N3 3/20 0.44
PARP2 Q9UGN5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
SCN9A Q15858 1/20 0.37
PARP14 Q460N5 1/20 0.37
KAT6A Q92794 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
SCHEMBL4734966 0.88 PARP10 (0.40) PARP10PARP15PARP2FFAR4SCN9A
SCHEMBL22657649 0.81 PARP10 (0.42) PARP10PARP15PARP2FFAR4SCN9A
SCHEMBL17609427 0.78 PARP10 (0.42) PARP10PARP15PARP2FFAR4SCN9A
SCHEMBL4678272 0.78 PARP10 (0.46) PARP10PARP15PARP2FFAR4SCN9A
SCHEMBL12077349 0.78 KAT6A (0.46) PARP10PARP15PARP2KAT6A
SCHEMBL14901056 0.77 PARP10 (0.55) PARP10PARP15PARP2FFAR4SCN9A
SCHEMBL9111876 0.77 PARP10 (0.41) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL21718870 0.77 PARP10 (0.41) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL9111879 0.77 PARP10 (0.41) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL19478658 0.77 PARP10 (0.41) PARP10PARP15PARP2FFAR4KAT6A

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
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed