SCHEMBL7014560

SCHEMBL7014560

CCc1nnc(SCc2cc(N3CCCCC3C)cc(NC(=O)O)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 2/20 0.35
DNM1L O00429 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7016594 0.79 MAPT (0.34) POLBALDH1A1MAPTTP53HTT
SCHEMBL7020361 0.71 NPY1R (0.37) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL7019783 0.67 NPY1R (0.43) POLBALDH1A1MAPTTP53KMT2A
SCHEMBL7015448 0.65 NPY1R (0.49) TSHR
SCHEMBL7018463 0.64 NPY1R (0.43) MAPTMEN1KMT2AHTTGAA
SCHEMBL7016178 0.64 NPY1R (0.50)
SCHEMBL7018239 0.62 GFER (0.43) ALDH1A1HPGDMAPTNPSR1MEN1
SCHEMBL29177354 0.60 DEGS1 (0.42) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL26633319 0.60 DEGS1 (0.42) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL21044370 0.60 ALDH1A1 (0.42) POLBALDH1A1HPGDMAPTMEN1

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