SCHEMBL7014609

SCHEMBL7014609

C=CCNC(=S)Nc1cccc(CN(C(=O)OC(C)(C)C)c2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 6/20 0.33
JAK3 P52333 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
NPY1R P25929 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TTK P33981 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL7021884 0.90 AKT1 (0.35) AKT1MAPTJAK3JAK2JAK1
SCHEMBL7014606 0.85 NPY1R (0.32) NPY1R
SCHEMBL7012282 0.85 HTR2C (0.38) MAPTMEN1KMT2AALDH1A1NPY1R
SCHEMBL7022375 0.84 NPY1R (0.36) AKT1ALDH1A1NPY1RSMN1; SMN2LMNA
SCHEMBL7022451 0.84 NPY1R (0.36) MAPTNPY1RSMN1; SMN2NPC1RAB9A
SCHEMBL7016803 0.84 MRGPRX4 (0.41) AKT1MAPTMEN1KMT2AALDH1A1
SCHEMBL7010773 0.84 NPY1R (0.35) MEN1KMT2AALDH1A1NPY1RSMN1; SMN2
SCHEMBL7018835 0.82 NPY1R (0.36) NPY1R
SCHEMBL7018031 0.81 TSHR (0.35) ALDH1A1NPY1RSMN1; SMN2LMNA
SCHEMBL7016610 0.79 NPY1R (0.35) MAPTNPY1RSMN1; 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