SCHEMBL30694792

SCHEMBL30694792

OCc1cc(Br)ccc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
PTGDR2 Q9Y5Y4 2/20 0.49
CSNK2A1 P68400 2/20 0.41
NPC1 O15118 3/20 0.41
PTGDR Q13258 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
PDE4D Q08499 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
SCHEMBL25371685 1.00 NPY1R (0.60) NPY1RNPY2RPTGDR2CSNK2A1NPC1
SCHEMBL25369504 0.97 NPY1R (0.57) NPY1RNPY2RPTGDR2CSNK2A1NPC1
SCHEMBL4585924 0.86 NPY1R (0.49) NPY1RNPY2RPTGDR2CSNK2A1NPC1
SCHEMBL27778858 0.81 NPY1R (0.54) NPY1RNPY2RPTGDR2CSNK2A1PTGDR
SCHEMBL3632974 0.81 NPY1R (0.54) NPY1RNPY2RPTGDR2CSNK2A1NPC1
SCHEMBL18584829 0.81 MAPT (0.49) NPY1RNPY2RPTGDR2CSNK2A1PTGDR
SCHEMBL3635560 0.80 NPY1R (0.56) NPY1RNPY2RPTGDR2CSNK2A1PTGDR
SCHEMBL29333349 0.80 NPY1R (0.43) NPY1RNPY2RPTGDR2
SCHEMBL14786273 0.77 MAPT (0.49) NPY1RNPY2RCSNK2A1PTGDRMAPT
SCHEMBL25370223 0.77 NPY1R (0.39) NPY1RNPY2RCSNK2A1RECQLPDE4D

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
CN-117295736-A Benzo [ C ] [2,6] naphthyridine derivatives, compositions thereof and therapeutic uses thereof 剑桥实业有限公司 2023-12-26 CN disclosed