SCHEMBL8891004

SCHEMBL8891004

O=C(NCc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.62
LRRK2 Q5S007 1/20 0.58
PIN1 Q13526 1/20 0.57
CTNNB1 P35222 3/20 0.53
TCF7L2 Q9NQB0 3/20 0.53
PDE4B Q07343 1/20 0.53

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 SCHEMBL8906436 0.99 NPY5R (0.60) NPY5RLRRK2PIN1CTNNB1TCF7L2
SCHEMBL2591063 0.79 NPY5R (1.00) NPY5RPIN1
SCHEMBL8889728 0.79 NPY5R (0.70) NPY5R
SCHEMBL8890470 0.79 NPY5R (0.70) NPY5RLRRK2PIN1
Hydrochloric Acid SCHEMBL8912533 0.78 NPY5R (0.68) NPY5R
Hydrochloric Acid SCHEMBL8908244 0.78 NPY5R (0.68) NPY5R
Hydrochloric Acid SCHEMBL6039677 0.77 NPY5R (0.96) NPY5RPIN1
Hydrochloric Acid SCHEMBL8892043 0.77 NPY5R (0.72) NPY5R
SCHEMBL8900016 0.77 NPY5R (0.61) NPY5RPIN1
SCHEMBL8890638 0.77 NPY5R (0.67) NPY5R

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