SCHEMBL8891067

SCHEMBL8891067

CC(C)(Nc1nc(N)c2ccccc2n1)C1CCC(CN)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.45
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
APP P05067 7/20 0.45
NPC1 O15118 3/20 0.43
PKM P14618 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 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 SCHEMBL8901432 0.99 NPC1 (0.45) NPY5RAQP1ALDH1A1ADRA2AMAPT
SCHEMBL8893962 0.84 NPY5R (0.50) NPY5R
SCHEMBL8891058 0.81 NPY5R (0.41) NPY5RAQP1ALDH1A1ADRA2AMAPT
Hydrochloric Acid SCHEMBL8901427 0.81 NPC1 (0.43) NPY5RAQP1ALDH1A1ADRA2AMAPT
SCHEMBL8900899 0.79 NPY5R (0.61) NPY5RAQP1ALDH1A1ADRA2AMAPT
SCHEMBL2636281 0.79 NPY5R (0.64) NPY5RAQP1ALDH1A1ADRA2AMAPT
Hydrochloric Acid SCHEMBL8906965 0.78 NPY5R (0.62) NPY5RAQP1ALDH1A1ADRA2AMAPT
Hydrochloric Acid SCHEMBL2675360 0.78 NPY5R (0.62) NPY5RAQP1ALDH1A1ADRA2AMAPT
Hydrochloric Acid SCHEMBL8901980 0.78 NPY5R (0.60) NPY5RAQP1ALDH1A1ADRA2AMAPT
SCHEMBL8892683 0.74 NPY5R (0.60) NPY5RAQP1ALDH1A1ADRA2AMAPT

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