SCHEMBL8911900

SCHEMBL8911900

COc1cccc2c(NCCN(C)C)nc(NCC3CCC(CN)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
EHMT2 Q96KQ7 5/20 0.43
RCOR1 Q9UKL0 5/20 0.43
PRKCQ Q04759 2/20 0.43
SLC2A1 P11166 1/20 0.42
WHR1 P49842 1/20 0.38
PDE5A O76074 1/20 0.38
TRIM58 Q8NG06 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
ADRA2A P08913 1/20 0.37
NPY5R Q15761 1/20 0.37
TOP2A P11388 1/20 0.36

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
SCHEMBL8899767 0.91 PRKCQ (0.42) KDM1AEHMT2RCOR1PRKCQSLC2A1
SCHEMBL8911894 0.88 VCP (0.48) KDM1AEHMT2RCOR1SLC2A1
SCHEMBL8900938 0.87 SLC2A1 (0.44) KDM1AEHMT2RCOR1PRKCQSLC2A1
SCHEMBL8898947 0.82 TLR9 (0.51) KDM1AEHMT2PDE5ATRIM58ADRA2A
SCHEMBL8900115 0.81 NPY5R (0.46) PRKCQADRA2ANPY5R
Hydrochloric Acid SCHEMBL8899118 0.81 NPY5R (0.45) PRKCQADRA2ANPY5R
SCHEMBL8889968 0.80 EHMT2 (0.52) KDM1AEHMT2RCOR1SLC2A1PDE5A
SCHEMBL8899747 0.79 VCP (0.47) SLC2A1
SCHEMBL8890893 0.78 NPY5R (0.44) PRKCQADRA2ANPY5R
SCHEMBL8900924 0.76 VCP (0.46) KDM1AEHMT2RCOR1SLC2A1TOP2A

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed