SCHEMBL8230631

SCHEMBL8230631

O=C(Nc1cccc2c1C(=O)N(Cc1cccc(N3CCCN(CCO)C3=O)c1)C2)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.45
PREP P48147 3/20 0.37
ACKR3 P25106 1/20 0.37
PARP1 P09874 3/20 0.36
HDAC1 Q13547 1/20 0.35
PARP2 Q9UGN5 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL8230871 0.91 F10 (0.46) F10PREPACKR3PARP1HDAC1
SCHEMBL8231708 0.88 F10 (0.59) F10ACKR3HDAC1DRD2DRD3
SCHEMBL8230000 0.86 F10 (0.47) F10PREPACKR3PARP1HDAC1
SCHEMBL8230409 0.84 F10 (0.44) F10PREPACKR3PARP1HDAC1
SCHEMBL3915359 0.84 F10 (0.46) F10PREPACKR3PARP1HDAC1
SCHEMBL8230012 0.83 F10 (0.46) F10PREPACKR3PARP1HDAC1
SCHEMBL8230473 0.82 F10 (0.47) F10PREPACKR3PARP1HDAC1
SCHEMBL8230535 0.82 F10 (0.52) F10KCNH2
SCHEMBL8234420 0.81 F10 (0.43) F10PREPACKR3PARP1PARP2
SCHEMBL8230013 0.81 F10 (0.58) F10ACKR3HDAC1DRD2DRD4

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-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed