SCHEMBL7014495

SCHEMBL7014495

CCc1nnc(SCc2cc(N3CCOCC3)cc(N(C(=O)OC(C)(C)C)C(CCC(=O)OC)c3cccc([N+](=O)[O-])c3)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 5/20 0.34
POLB P06746 2/20 0.33
CCR6 P51684 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 3/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
G6PD P11413 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 2/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7016596 0.86 NPY1R (0.34) NPY1R
SCHEMBL7012030 0.80 NPY1R (0.34) NPY1R
SCHEMBL7011470 0.79 NPY1R (0.35) NPY1R
SCHEMBL7020395 0.78 NPY1R (0.34) NPY1RPOLBCCR6LMNAALDH1A1
SCHEMBL7016803 0.77 MRGPRX4 (0.41) NPY1RLMNAMAPTPKMALDH1A1
SCHEMBL7010773 0.75 NPY1R (0.35) NPY1RLMNAPKMALDH1A1MEN1
SCHEMBL7012282 0.74 HTR2C (0.38) NPY1RPOLBLMNAMAPTALDH1A1
SCHEMBL7022375 0.74 NPY1R (0.36) NPY1RPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL7016255 0.74 ALDH1A1 (0.34) LMNAMAPTALDH1A1SMN1; SMN2SLC6A9
SCHEMBL7016610 0.73 NPY1R (0.35) NPY1RPOLBMAPTSMN1; 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