SCHEMBL8900965

SCHEMBL8900965

COc1ccc2nc(NCC3CCC(CN)CC3)nc(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
NPY5R Q15761 5/20 0.47
SLC6A4 P31645 2/20 0.47
VCP P55072 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
AQP1 P29972 2/20 0.44
NPY1R P25929 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.44
HPGD P15428 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
MCHR1 Q99705 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKCQ Q04759 3/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL8900961 0.86 VCP (0.56) APPNPY5RSLC6A4VCP
SCHEMBL8898282 0.82 NPY5R (0.47) APPNPY5RSLC6A4VCPMAPT
SCHEMBL8900660 0.82 ADRB2 (0.51) APPNPY5RSLC6A4MAPTAQP1
SCHEMBL2636281 0.79 NPY5R (0.64) APPNPY5RSLC6A4MAPTAQP1
Hydrochloric Acid SCHEMBL8906965 0.78 NPY5R (0.62) APPNPY5RSLC6A4NPC1RAB9A
Hydrochloric Acid SCHEMBL2675360 0.78 NPY5R (0.62) APPNPY5RSLC6A4NPC1RAB9A
SCHEMBL8901221 0.76 DCPS (0.51) APPNPY5RSLC6A4VCPMAPT
SCHEMBL8900115 0.75 NPY5R (0.46) NPY5RSLC6A4VCPMAPTAQP1
Hydrochloric Acid SCHEMBL8899118 0.74 NPY5R (0.45) NPY5RSLC6A4VCPMAPTAQP1
Hydrochloric Acid SCHEMBL8900266 0.73 NPY5R (0.66) APPNPY5RSLC6A4NPC1RAB9A

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 claimed