SCHEMBL8891393

SCHEMBL8891393

CCS(=O)(=O)c1ccc(Nc2nc(Nc3ccccc3)c3cccc(COC)c3n2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.45
NPY5R Q15761 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL8890271 0.99 SLC2A1 (0.47) SLC2A1NPY5RNPC1TP53PKM
SCHEMBL8891834 0.87 SLC2A1 (0.44) SLC2A1
Hydrochloric Acid SCHEMBL8889266 0.86 SLC2A1 (0.46) SLC2A1
SCHEMBL8891387 0.76 NPY5R (0.69) SLC2A1NPY5R
Hydrochloric Acid SCHEMBL8890265 0.76 NPY5R (0.67) SLC2A1NPY5R
SCHEMBL8891648 0.76 NPY5R (0.41) SLC2A1NPY5R
SCHEMBL8890917 0.75 NPY5R (0.65) SLC2A1NPY5RNPC1TP53RAB9A
SCHEMBL8890695 0.74 SLC2A1 (0.51) SLC2A1NPY5RNPC1TP53PKM
Hydrochloric Acid SCHEMBL8889736 0.74 NPY5R (0.63) SLC2A1NPY5RNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL8890337 0.74 SLC2A1 (0.50) SLC2A1NPY5RNPC1TP53PKM

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
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed