SCHEMBL7019692

SCHEMBL7019692

CCc1nnc(SCc2cc(N3CCCCC3)cc(NC(=O)OC(C)(C)C)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7020361 0.92 NPY1R (0.37) NPY1RMEN1KMT2AALDH1A1POLB
SCHEMBL7012960 0.91 NPY1R (0.46) NPY1RKDM4EMAPTKCNH2
SCHEMBL163223 0.77 NPY1R (0.45) NPY1RKCNH2
SCHEMBL166049 0.77 NPY1R (0.51) NPY1RSCN9AKCNH2
SCHEMBL7015881 0.77 KCNH2 (0.51) NPY1RMEN1KMT2APOLBKDM4E
SCHEMBL962875 0.77 NPY1R (0.64) NPY1RKCNH2
SCHEMBL7015233 0.74 JAK3 (0.39) NPY1RMAPT
SCHEMBL961779 0.72 NPY1R (0.65) NPY1RKCNH2
SCHEMBL112418 0.72 SCN9A (0.34) NPY1RSCN9AKCNH2
SCHEMBL963884 0.71 NPY1R (0.51) NPY1RPOLBSCN9AKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed