SCHEMBL7102412

SCHEMBL7102412

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CCc3nnc(C(C)C)s3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.53
JAK3 P52333 10/20 0.46
JAK2 O60674 6/20 0.46
JAK1 P23458 4/20 0.46
KCNH2 Q12809 2/20 0.43
TTK P33981 2/20 0.42
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36

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
SCHEMBL7014850 0.93 NPY1R (0.54) NPY1RJAK3JAK2JAK1KCNH2
SCHEMBL7016692 0.93 NPY1R (0.52) NPY1RJAK3JAK2JAK1KCNH2
SCHEMBL7010930 0.89 NPY1R (0.46) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7019593 0.89 NPY1R (0.49) NPY1RJAK3JAK2JAK1KCNH2
SCHEMBL7016515 0.87 NPY1R (0.53) NPY1RJAK3JAK2JAK1KCNH2
SCHEMBL7015208 0.87 NPY1R (0.67) NPY1RKCNH2
SCHEMBL7012159 0.86 NPY1R (0.61) NPY1RJAK3JAK2JAK1KCNH2
SCHEMBL647566 0.84 NPY1R (0.46) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7019510 0.83 NPY1R (0.45) NPY1RJAK3JAK2JAK1TTK
SCHEMBL7101612 0.82 JAK3 (0.47) NPY1RJAK3JAK2JAK1KCNH2

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