SCHEMBL17090089

SCHEMBL17090089

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2c3ccccc3nc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.44
ADRA2A P08913 4/20 0.44
TLR7 Q9NYK1 1/20 0.44
MCHR1 Q99705 5/20 0.43
AQP1 P29972 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
ACACA Q13085 1/20 0.39
SLC6A4 P31645 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL13565529 1.00 NPY5R (0.44) NPY5RADRA2ATLR7MCHR1AQP1
SCHEMBL13565916 0.84 NPY5R (0.44) NPY5RADRA2ATLR7MCHR1AQP1
SCHEMBL13565396 0.84 CYP2C19 (0.45) NPY5RADRA2AMCHR1MAPTKMT2A
SCHEMBL17090306 0.84 CYP2C19 (0.45) NPY5RADRA2AMCHR1MAPTKMT2A
SCHEMBL11935223 0.81 CRHR1 (0.44) NPY5RADRA2AMCHR1ALDH1A1KMT2A
SCHEMBL13438902 0.81 CRHR1 (0.44) NPY5RADRA2AMCHR1ALDH1A1KMT2A
SCHEMBL11936318 0.81 RAB9A (0.43) ALDH1A1MAPTKMT2APOLB
SCHEMBL13439078 0.79 NPC1 (0.47) ALDH1A1KMT2AMEN1POLB
SCHEMBL11935361 0.79 NPC1 (0.47) ALDH1A1KMT2AMEN1POLB
SCHEMBL14424735 0.78 NPY5R (0.53) NPY5RALDH1A1MAPTHPGDKMT2A

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed