SCHEMBL7010773

SCHEMBL7010773

CCc1nnc(SCc2cc(N3CCOCC3)cc(N(Cc3cccc(C(=O)O)c3)C(=O)OC(C)(C)C)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.35
KMO O15229 1/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
CETP P11597 1/20 0.32
AOC3 Q16853 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3C2B O00750 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
ACMSD Q8TDX5 1/20 0.31

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
SCHEMBL7016803 0.93 MRGPRX4 (0.41) NPY1RMRGPRX4ALDH1A1LMNAHTT
SCHEMBL7012282 0.93 HTR2C (0.38) NPY1RHTR2CSLC6A4CETPALDH1A1
SCHEMBL7022375 0.91 NPY1R (0.36) NPY1RHTR2CSLC6A4CETPAOC3
SCHEMBL7016610 0.86 NPY1R (0.35) NPY1RHTR2CSLC6A4SMN1; SMN2
SCHEMBL7021884 0.85 AKT1 (0.35) NPY1RLMNASMN1; SMN2NPC1
SCHEMBL7014606 0.85 NPY1R (0.32) NPY1RAOC3
SCHEMBL7014609 0.84 AKT1 (0.35) NPY1RALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7020395 0.83 NPY1R (0.34) NPY1RALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7022451 0.81 NPY1R (0.36) NPY1RSMN1; SMN2NPC1
SCHEMBL7018031 0.80 TSHR (0.35) NPY1RALDH1A1LMNASMN1; SMN2

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