SCHEMBL8891585

SCHEMBL8891585

Cc1cccc2c(Nc3ccccc3)nc(Nc3ccc(CS(=O)(=O)N(C)C)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.77
SLC2A1 P11166 1/20 0.44
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
KDM1A O60341 1/20 0.42
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
NEK2 P51955 1/20 0.39
PDE5A O76074 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 SCHEMBL8890940 0.99 NPY5R (0.75) NPY5RSLC2A1EGFRITKKDM1A
SCHEMBL8889462 0.90 NPY5R (0.62) NPY5RKDM1ACTNNB1TCF7L2NEK2
Hydrochloric Acid SCHEMBL8890878 0.89 NPY5R (0.61) NPY5RSLC2A1KDM1ACTNNB1TCF7L2
SCHEMBL8890967 0.88 NPY5R (0.74) NPY5RKDM1A
SCHEMBL8890077 0.87 NPY5R (0.58) NPY5REGFRITKCTNNB1TCF7L2
SCHEMBL8898853 0.87 NPY5R (1.00) NPY5RSLC2A1PDE5A
Hydrochloric Acid SCHEMBL8900310 0.87 NPY5R (0.72) NPY5RKDM1A
SCHEMBL8891429 0.87 NPY5R (0.72) NPY5REGFRITKKDM1ANEK2
SCHEMBL8899707 0.86 NPY5R (0.58) NPY5RSLC2A1CTNNB1TCF7L2
Hydrochloric Acid SCHEMBL8899629 0.86 NPY5R (0.71) NPY5RSLC2A1EGFRITKKDM1A

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