SCHEMBL13565601

SCHEMBL13565601

CC(C)(C)S(=O)(=O)NC1CCC(CNc2nc(-c3cccc4ccccc34)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPY5R Q15761 5/20 0.39
CCNK O75909 4/20 0.38
CDK9 P50750 4/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NTMT1 Q9BV86 1/20 0.37
ADRA2A P08913 1/20 0.36
HPGD P15428 1/20 0.36
NPY1R P25929 1/20 0.36
AQP1 P29972 1/20 0.36
NPY2R P49146 1/20 0.36
NPY4R P50391 1/20 0.36
MCHR1 Q99705 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17090500 1.00 PTPN2 (0.41) PTPN2PTPN1MAPTMEN1KMT2A
SCHEMBL13565678 0.87 MEN1 (0.44) PTPN2PTPN1MAPTMEN1KMT2A
SCHEMBL13203777 0.83 RAB9A (0.47) MAPTMEN1KMT2ANPY5RALDH1A1
SCHEMBL10133352 0.83 RAB9A (0.47) MAPTMEN1KMT2ANPY5RALDH1A1
SCHEMBL13438697 0.80 CCNK (0.51) PTPN2PTPN1MAPTMEN1KMT2A
SCHEMBL11934826 0.80 CCNK (0.51) PTPN2PTPN1MAPTMEN1KMT2A
SCHEMBL13564740 0.78 NPC1 (0.42) NPY5RCCNKCDK9ALDH1A1
SCHEMBL17089947 0.78 NPC1 (0.42) NPY5RCCNKCDK9ALDH1A1
SCHEMBL13565525 0.75 NPY5R (0.54) PTPN2PTPN1NPY5R
SCHEMBL11935361 0.75 NPC1 (0.47) MEN1KMT2AALDH1A1

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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed