SCHEMBL9435285

SCHEMBL9435285

CC(=O)CNC(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
SLC6A2 P23975 1/20 0.49
CHRNB4 P30926 1/20 0.49
SLC6A4 P31645 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CHRND Q07001 1/20 0.49
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
HTR2A P28223 2/20 0.42

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
SCHEMBL436283 0.87 PTPRC (0.52) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5855030 0.85 NR1H4 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1NR1H4
SCHEMBL436277 0.84 KMT2A (0.55) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13753881 0.83 HPGD (0.51) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL901725 0.81 HPGD (0.52) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9435241 0.81 HPGD (0.55) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1459893 0.80 OGG1 (0.55) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9996871 0.79 HPGD (0.48) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL14054114 0.79 CA1 (0.54) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL27007874 0.79 CHRNA1 (0.53) HPGDCHRNA1CHRNGCHRNB1CHRNB2

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
CN-1094037-A The N-Benzanilide derivatives GLAXO GROUP LTD (GB) 1994-10-26 CN disclosed
WO-1994015920-A1 BENZANILIDE DERIVATIVES AS 5-HT1D-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1994-07-21 WO disclosed