SCHEMBL8891336

SCHEMBL8891336

Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.77
SLC6A4 P31645 2/20 0.77
ADRA2A P08913 4/20 0.70
MCHR1 Q99705 4/20 0.70
AQP1 P29972 2/20 0.70
ALDH1A1 P00352 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
NPY1R P25929 1/20 0.70
NPY2R P49146 1/20 0.70
NPY4R P50391 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
GBA1 P04062 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
APP P05067 1/20 0.46
VCP P55072 1/20 0.45

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
SCHEMBL8891338 1.00 NPY5R (0.77) NPY5RSLC6A4ADRA2AMCHR1AQP1
Hydrochloric Acid SCHEMBL8900128 0.99 NPY5R (0.77) NPY5RSLC6A4ADRA2AMCHR1AQP1
Hydrochloric Acid SCHEMBL8900122 0.99 NPY5R (0.77) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL8900726 0.93 NPY5R (0.81) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL8900731 0.93 NPY5R (0.81) NPY5RSLC6A4ADRA2AMCHR1AQP1
Hydrochloric Acid SCHEMBL8900603 0.92 NPY5R (0.81) NPY5RSLC6A4ADRA2AMCHR1AQP1
Hydrochloric Acid SCHEMBL8900606 0.92 NPY5R (0.81) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13795831 0.89 NPY5R (0.61) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796467 0.88 NPY5R (0.60) NPY5RSLC6A4ADRA2AMCHR1AQP1
Hydrochloric Acid SCHEMBL8890513 0.86 NPY5R (0.76) NPY5RSLC6A4ADRA2AMCHR1AQP1

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