SCHEMBL7016594

SCHEMBL7016594

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCCCC3C)cc(CSc3nnc(CC)s3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
NPY1R P25929 9/20 0.33
TP53 P04637 2/20 0.32
JAK3 P52333 5/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
JAK2 O60674 2/20 0.31
POLB P06746 1/20 0.31
JAK1 P23458 2/20 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
SCHEMBL7015233 0.90 JAK3 (0.39) MAPTSMN1; SMN2NPY1RTP53JAK3
SCHEMBL647566 0.86 NPY1R (0.46) NPY1RJAK3JAK2JAK1
SCHEMBL10129900 0.83 NPY1R (0.37) NPY1RJAK3JAK2JAK1
SCHEMBL7016779 0.79 NPY1R (0.46) NPY1RJAK3JAK2JAK1
SCHEMBL7018703 0.79 NPY1R (0.45) NPY1RJAK3JAK2JAK1
SCHEMBL7014560 0.79 HSD17B10 (0.38) MAPTALDH1A1SMN1; SMN2HTTTP53
SCHEMBL7011726 0.78 NPY1R (0.51) NPY1RJAK3JAK2JAK1
SCHEMBL7016607 0.78 NPY1R (0.46) NPY1RJAK3JAK2JAK1
SCHEMBL7017021 0.78 NPY1R (0.46) NPY1RJAK3JAK2JAK1
SCHEMBL7018417 0.78 NPY1R (0.48) NPY1R

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