SCHEMBL17089983

SCHEMBL17089983

CC(C)S(=O)(=O)NCCCCCNCc1ccc(-c2csnn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
NPY5R Q15761 5/20 0.43
GRIA1 P42261 3/20 0.42
MGLL Q99685 3/20 0.42
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL17089975 0.84 PTPN1 (0.47) PTPN1MGLLPOLBKMT2ANOTUM
SCHEMBL10113879 0.84 MGLL (0.44) PTPN1NPY5RMGLLPOLBKMT2A
SCHEMBL17090341 0.84 NPY5R (0.49) NPY5RGRIA1MGLLPOLBKMT2A
SCHEMBL10113740 0.78 LMNA (0.49) NPY5RMGLLPOLBKMT2AMAPT
SCHEMBL17090102 0.76 PTPN1 (0.44) PTPN1MGLLPOLBKMT2ANOTUM
SCHEMBL23460163 0.75 PTPN1 (0.53) PTPN1MGLLPOLBKMT2ANOTUM
SCHEMBL11935057 0.73 CHRM2 (0.66) GRIA1KMT2APKMALDH1A1
SCHEMBL13565673 0.73 GRIA1 (0.42) NPY5RGRIA1HRH4HRH3
SCHEMBL13565350 0.72 GRIA1 (0.50) GRIA1KMT2AALDH1A1
SCHEMBL13565779 0.72 HRH4 (0.50) GRIA1HRH4HRH3

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