SCHEMBL8899982

SCHEMBL8899982

COc1cccc2nc(Nc3ccc(CS(=O)(=O)N(C)C)cc3)nc(Nc3ccccc3)c12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.71
SLC2A1 P11166 1/20 0.41
GRK6 P43250 2/20 0.41
MERTK Q12866 2/20 0.40
KDM1A O60341 1/20 0.39
NEK2 P51955 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PDE5A O76074 1/20 0.38

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 SCHEMBL8890808 0.99 NPY5R (0.70) NPY5RSLC2A1GRK6MERTKKDM1A
SCHEMBL8890967 0.86 NPY5R (0.74) NPY5RKDM1A
Hydrochloric Acid SCHEMBL8900310 0.85 NPY5R (0.72) NPY5RKDM1A
SCHEMBL8898853 0.83 NPY5R (1.00) NPY5RSLC2A1MERTKPDE5A
Hydrochloric Acid SCHEMBL8900633 0.82 NPY5R (0.98) NPY5RSLC2A1MERTKHTTTAAR1
SCHEMBL8891909 0.78 NPY5R (0.83) NPY5RKDM4EPDE5A
SCHEMBL8900516 0.76 NPY5R (0.77) NPY5R
SCHEMBL8891585 0.76 NPY5R (0.77) NPY5RSLC2A1KDM1ANEK2PDE5A
Hydrochloric Acid SCHEMBL8890109 0.75 NPY5R (0.76) NPY5R
Hydrochloric Acid SCHEMBL8889724 0.75 NPY5R (0.76) NPY5RKDM1A

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