SCHEMBL5736080

SCHEMBL5736080

CN(C)CCOc1ccccc1-c1nc(-c2ccc(O)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
TTR P02766 1/20 0.54
HTR7 P34969 2/20 0.51
MAPT P10636 8/20 0.50
HSD17B10 Q99714 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 5/20 0.50
TP53 P04637 4/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GAA P10253 3/20 0.48
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
Irampanel SCHEMBL678128 0.90 HTR7 (0.63) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7955292 0.89 TTR (0.55) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7958390 0.89 TTR (0.55) NPSR1TTRHTR7MAPTHSD17B10
Irampanel SCHEMBL6879876 0.89 HTR7 (0.62) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7955222 0.88 TTR (0.54) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7956790 0.88 TTR (0.54) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7961594 0.87 MAPT (0.59) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7956669 0.87 TTR (0.56) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL5959899 0.87 TTR (0.72) NPSR1TTRHTR7MAPTHSD17B10
SCHEMBL7956917 0.87 HTR7 (0.44) NPSR1TTRHTR7MAPTHSD17B10

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-0934288-B1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-04 EP disclosed
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed