SCHEMBL7017580

SCHEMBL7017580

C=CCOC(=O)Nc1cc(Cl)cc(CN(C(=O)OC(C)(C)C)c2cc(N3CCOCC3)cc(COC3CCCCO3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.37
KCNH2 Q12809 1/20 0.34
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 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
SCHEMBL7012036 0.90 ZAP70 (0.32) EP300CREBBPHTR2CSLC6A4
SCHEMBL7016126 0.84 NPY1R (0.33) NPY1RKCNH2
SCHEMBL7015911 0.84 NPY1R (0.35) NPY1RKCNH2
SCHEMBL7018069 0.82 HTR2C (0.31) HTR2CSLC6A4
SCHEMBL7015649 0.81 NPY1R (0.61) NPY1RKCNH2
SCHEMBL7015313 0.80 PIK3C2B (0.34) KCNH2EP300CREBBPHTR2CSLC6A4
SCHEMBL7011740 0.80 CASR (0.36) NPY1RKCNH2
SCHEMBL7016776 0.79 CASR (0.35) NPY1RKCNH2
SCHEMBL7016912 0.79 HTR2C (0.35) HTR2CSLC6A4
SCHEMBL7011382 0.79 JAK3 (0.39)

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