SCHEMBL7101964

SCHEMBL7101964

C=CCOC(=O)Nc1cccc(N(C)c2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.38
KCNH2 Q12809 3/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TSHR P16473 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL7018656 0.88 NPY1R (0.35) NPY1RKCNH2FGFR1KDREPHB4
SCHEMBL7012016 0.87 NPY1R (0.35) NPY1RKCNH2ALDH1A1GAAHPGD
SCHEMBL7101967 0.87 NPY1R (0.53) NPY1RKCNH2
SCHEMBL647566 0.81 NPY1R (0.46) NPY1R
SCHEMBL7021884 0.81 AKT1 (0.35) NPY1RKCNH2BTK
SCHEMBL7018031 0.80 TSHR (0.35) NPY1RKCNH2ALDH1A1TSHR
SCHEMBL7013292 0.80 NPY1R (0.48) NPY1RKCNH2BTK
SCHEMBL7016209 0.80 NPY1R (0.47) NPY1RKCNH2
SCHEMBL7012020 0.80 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7018659 0.80 NPY1R (0.48) NPY1RKCNH2

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