SCHEMBL7337601

SCHEMBL7337601

C[n+]1ccn2cc(-c3ccc(C(F)(F)F)cc3)[nH]c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.43
TNKS2 Q9H2K2 10/20 0.43
PARP1 P09874 10/20 0.43
ADORA3 P0DMS8 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PARP6 Q2NL67 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
PARP8 Q8N3A8 1/20 0.36
PARP12 Q9H0J9 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
KIF11 P52732 1/20 0.35
COMT P21964 1/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL7337908 0.84 SCN10A (0.38) TNKSTNKS2PARP1WNT3A
SCHEMBL7397534 0.84 TNKS (0.41) TNKSTNKS2PARP1ADORA3SLC6A3
SCHEMBL7327605 0.84 TNKS (0.53) TNKSTNKS2PARP1ADORA3SLC6A3
SCHEMBL7329545 0.83 TNKS (0.41) TNKSTNKS2PARP1
SCHEMBL7327732 0.82 TNKS (0.39) TNKSTNKS2PARP1ADORA3
SCHEMBL7336871 0.81 MAP2K1 (0.44) TNKSTNKS2PARP1ADORA3
SCHEMBL7328423 0.79 MAPT (0.42) TNKSTNKS2PARP1PARP2
SCHEMBL7328378 0.74 TNKS (0.38) TNKSTNKS2PARP1ADORA3
SCHEMBL7330451 0.73 BRD4 (0.41) TNKSTNKS2PARP1
SCHEMBL15287390 0.73 TNKS (0.71) TNKSTNKS2PARP1ADORA3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726900-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1996-08-21 EP disclosed
WO-1995012594-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-05-11 WO disclosed