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SCHEMBL162002

SCHEMBL162002

CCc1sc(CCc2cc(N3CCOCC3)cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 20/20 1.00
▸ KCNH2 Q12809 1/20 1.00

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
SCHEMBL29440185 1.00 NPY1R (1.00) NPY1RKCNH2
SCHEMBL27630483 0.83 NPY1R (0.70) NPY1RKCNH2
SCHEMBL7016340 0.79 NPY1R (0.66) NPY1RKCNH2
SCHEMBL7017458 0.79 NPY1R (0.83) NPY1RKCNH2
SCHEMBL7017074 0.78 NPY1R (0.64) NPY1RKCNH2
SCHEMBL7019934 0.76 NPY1R (0.61) NPY1RKCNH2
SCHEMBL7014648 0.75 NPY1R (0.60) NPY1RKCNH2
SCHEMBL7015649 0.72 NPY1R (0.61) NPY1RKCNH2
SCHEMBL7019028 0.72 NPY1R (0.70) NPY1RKCNH2
SCHEMBL7015208 0.71 NPY1R (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424860-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-03-07 — — EP disclosed
EP-1517908-B1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2011-04-20 — — EP disclosed
WO-2010126163-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 — — WO disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 — — EP disclosed
EP-1517908-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 — — EP disclosed
WO-2004002986-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 — — WO disclosed