SCHEMBL8317502

SCHEMBL8317502

NC1Cc2ccc(Cl)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.51
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
F7 P08709 1/20 0.42
PARP1 P09874 1/20 0.42
F3 P13726 1/20 0.42
PARP10 Q53GL7 1/20 0.42
S100A4 P26447 2/20 0.41
ACHE P22303 3/20 0.40
METAP1 P53582 2/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
KDM1A O60341 1/20 0.38
PPOX P50336 1/20 0.37
CMA1 P23946 1/20 0.37
AHR P35869 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
Hydrochloric Acid SCHEMBL8479117 0.98 AADAT (0.50) AADATHTR2AHTR2CHTR2BF7
SCHEMBL27346204 0.85 METAP1 (0.53) AADATHTR2AHTR2CHTR2BS100A4
SCHEMBL7625668 0.83 S100A4 (0.44) AADATHTR2AHTR2CHTR2BF7
SCHEMBL30666550 0.78 ACHE (0.66) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL7847032 0.78 METAP1 (0.43) AADATHTR2AHTR2CHTR2BF7
SCHEMBL7596678 0.77 METAP1 (0.49) AADATHTR2AHTR2CHTR2BF7
SCHEMBL23088348 0.74 AADAT (0.50) AADATHTR2AHTR2CHTR2BHTR1A
SCHEMBL28520173 0.74 ACHE (0.40) AADATHTR2AHTR2CHTR2BF7
SCHEMBL11529301 0.74 METAP1 (0.52) HTR2AHTR2CHTR2BF7PARP1
SCHEMBL25086408 0.74 AADAT (0.51) AADATHTR2AHTR2CHTR2BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752988-B1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
EP-0752988-A1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026342-A1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed