SCHEMBL8892212

SCHEMBL8892212

NC(=O)CC1CCC(Nc2nc(N)c3ccccc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.59
APP P05067 4/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
AQP1 P29972 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
MCHR1 Q99705 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC6A4 P31645 2/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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 SCHEMBL8898590 0.99 NPY5R (0.58) NPY5RAPPBCHEACHEAQP1
SCHEMBL8900891 0.84 NPY5R (0.53) NPY5RAPPBCHEACHEADRA2A
SCHEMBL8900899 0.84 NPY5R (0.61) NPY5RAPPBCHEACHEAQP1
Hydrochloric Acid SCHEMBL8901970 0.83 NPY5R (0.53) NPY5RAPPBCHEACHEALDH1A1
Hydrochloric Acid SCHEMBL8901980 0.83 NPY5R (0.60) NPY5RAPPBCHEACHEAQP1
SCHEMBL8892223 0.81 NPY5R (0.59) NPY5RAPPBCHEACHEAQP1
Hydrochloric Acid SCHEMBL8898597 0.81 NPY5R (0.58) NPY5RAPPBCHEACHEAQP1
SCHEMBL11735631 0.78 NPY5R (0.64) NPY5RAPPBCHEACHENPC1
Hydrochloric Acid SCHEMBL6929267 0.76 KDM4E (0.61) ALDH1A1MAPTHPGDMCHR1TP53
SCHEMBL8890141 0.76 KDM4E (0.58) ALDH1A1ADRA2AHPGDNPC1ALOX15

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