SCHEMBL7012016

SCHEMBL7012016

C=CCOC(=O)Nc1ccc(N(C)c2cc(N3CCOCC3)cc(CSc3nnc(CC)s3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.35
KCNH2 Q12809 3/20 0.33
MAPT P10636 5/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7101964 0.87 NPY1R (0.38) NPY1RKCNH2ALDH1A1TSHRGAA
SCHEMBL7018656 0.86 NPY1R (0.35) NPY1RKCNH2
SCHEMBL7012020 0.85 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7018031 0.80 TSHR (0.35) NPY1RKCNH2SMN1; SMN2ALDH1A1TSHR
SCHEMBL7101967 0.80 NPY1R (0.53) NPY1RKCNH2
SCHEMBL7022451 0.79 NPY1R (0.36) NPY1RKCNH2MAPTNPC1RAB9A
SCHEMBL7021884 0.79 AKT1 (0.35) NPY1RKCNH2MAPTNPC1RAB9A
SCHEMBL7019088 0.78 NPY1R (0.48) NPY1RKCNH2
SCHEMBL7009484 0.78 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7018783 0.78 NPY1R (0.44) 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