SCHEMBL8246348

SCHEMBL8246348

CCc1ccccc1CN1CCC(Cc2cc(C)c3c(c2)CN(CC2CC2)C3=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.48
PARP2 Q9UGN5 3/20 0.48
ATM Q13315 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.37
CCR3 P51677 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
SCHEMBL1001863 0.91 ATM (0.53) PARP1PARP2ATMHTR1AMEN1
SCHEMBL1001867 0.89 MEN1 (0.46) PARP1PARP2MEN1KMT2A
SCHEMBL1002130 0.83 PARP1 (0.50) PARP1PARP2HTR1ACCR3
SCHEMBL1003044 0.83 PARP1 (0.53) PARP1PARP2ATMALDH1A1SIGMAR1
SCHEMBL1001898 0.82 PARP1 (0.49) PARP1PARP2MEN1KMT2ASMN1; SMN2
SCHEMBL1000989 0.81 PARP1 (0.51) PARP1PARP2ALDH1A1HTR1ASIGMAR1
SCHEMBL1005063 0.79 PARP1 (0.48) PARP1PARP2HTR1ACCR3
SCHEMBL1002269 0.79 PARP1 (0.43) PARP1PARP2SMN1; SMN2
SCHEMBL1003204 0.79 PARP1 (0.51) PARP1PARP2ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL1002883 0.77 PARP1 (0.47) PARP1PARP2

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-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed