SCHEMBL7016803

SCHEMBL7016803

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
NPY1R P25929 7/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PRKDC P78527 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7010773 0.93 NPY1R (0.35) MRGPRX4KMT2AMEN1NPC1NPY1R
SCHEMBL7012282 0.91 HTR2C (0.38) KMT2AMEN1NPY1RALDH1A1HPGD
SCHEMBL7022375 0.90 NPY1R (0.36) NPY1RALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7021884 0.85 AKT1 (0.35) NPC1NPY1RMAPTLMNASMN1; SMN2
SCHEMBL7016610 0.85 NPY1R (0.35) NPY1RMAPTPIK3CASMN1; SMN2GAA
SCHEMBL7014609 0.84 AKT1 (0.35) KMT2AMEN1NPC1NPY1RALDH1A1
SCHEMBL7014606 0.84 NPY1R (0.32) NPY1R
SCHEMBL7020395 0.83 NPY1R (0.34) KMT2ANPC1NPY1RALDH1A1LMNA
SCHEMBL7022451 0.81 NPY1R (0.36) NPC1NPY1RMAPTSMN1; SMN2
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