SCHEMBL7964562

SCHEMBL7964562

CN(C)CCOc1ccccc1-c1nc(-c2ccccc2F)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
GAA P10253 1/20 0.51
HTR7 P34969 2/20 0.50
TP53 P04637 3/20 0.47
HTT P42858 1/20 0.47
TTR P02766 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 1/20 0.47
HTR1B P28222 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 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
SCHEMBL7962019 0.96 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7954897 0.94 HTR7 (0.56) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7956815 0.89 HTR7 (0.66) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7955292 0.87 TTR (0.55) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7947650 0.86 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7960663 0.86 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7957242 0.85 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HTR7TP53
SCHEMBL7958835 0.85 HTR7 (0.50) NPC1RAB9ASMN1; SMN2GAAHTR7
SCHEMBL7957127 0.85 CASP3 (0.57) NPC1RAB9ASMN1; SMN2HTR7TP53
SCHEMBL7947807 0.85 HTR7 (0.56) NPC1RAB9ASMN1; SMN2GAAHTR7

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
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed