SCHEMBL8901221

SCHEMBL8901221

COc1cccc2nc(NCC3CCC(CN)CC3)nc(N)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 3/20 0.51
NPY5R Q15761 5/20 0.44
AQP1 P29972 2/20 0.44
ADRA2A P08913 2/20 0.44
MCHR1 Q99705 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKCQ Q04759 2/20 0.44
SLC6A4 P31645 2/20 0.41
VCP P55072 2/20 0.41
DHFR P00374 4/20 0.41
ACHE P22303 1/20 0.39
IDH1 O75874 1/20 0.38
IDH2 P48735 1/20 0.38
APP P05067 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
SCHEMBL8901212 0.86 VCP (0.54) DCPSNPY5RAQP1ADRA2AMCHR1
SCHEMBL8891992 0.83 PRKCQ (0.41) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8900115 0.83 NPY5R (0.46) NPY5RAQP1ADRA2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL8899118 0.82 NPY5R (0.45) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL2636281 0.78 NPY5R (0.64) NPY5RAQP1ADRA2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL2675360 0.77 NPY5R (0.62) NPY5RAQP1ADRA2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL8906965 0.77 NPY5R (0.62) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8900965 0.76 APP (0.47) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8900065 0.74 NPY5R (0.43) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8891562 0.74 NPY5R (0.46) NPY5RAQP1ADRA2AMCHR1ALDH1A1

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