SCHEMBL7015994

SCHEMBL7015994

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(C(C)Sc3nnc(CC)s3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.44
JAK3 P52333 11/20 0.44
JAK2 O60674 6/20 0.44
JAK1 P23458 5/20 0.44
TTK P33981 2/20 0.40
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL647566 0.87 NPY1R (0.46) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7019593 0.85 NPY1R (0.49) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7014850 0.84 NPY1R (0.54) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7014472 0.84 JAK3 (0.46) NPY1RJAK3JAK2JAK1TTK
SCHEMBL1693401 0.82 JAK3 (0.45) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7102412 0.82 NPY1R (0.53) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7010930 0.81 NPY1R (0.46) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7016692 0.81 NPY1R (0.52) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7018703 0.81 NPY1R (0.45) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7015233 0.80 JAK3 (0.39) NPY1RJAK3JAK2JAK1MAPT

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