SCHEMBL27600115

SCHEMBL27600115

CC(C)(C)OC(=O)C1CC(CN)CN1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.34
NR1H2 P55055 1/20 0.33
DPP4 P27487 3/20 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
SCHEMBL934839 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL17715154 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL29308168 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL17715141 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL27451986 0.84 GRIN2D (0.38) ARG1NR1H2
SCHEMBL16797265 0.84 ARG1 (0.34) ARG1NR1H2DPP4
SCHEMBL14467426 0.83 CHRNB2 (0.39) ARG1
SCHEMBL27418796 0.83 DPP4 (0.44) ARG1NR1H2DPP4
SCHEMBL27671561 0.81 DPP4 (0.33) ARG1NR1H2DPP4
SCHEMBL6110183 0.79 KMT2A (0.34) ARG1NR1H2DPP4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015705-B Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2013-11-13 CN disclosed
CN-101456841-B Amide derivative and medicine NIPPON SHINYAKU CO LTD 2012-01-25 CN disclosed
CN-102216291-A Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof SANOFI AVENTIS 2011-10-12 CN disclosed
CN-102164909-A Pyrine or pyrazine derivatives for treating HCV HOFFMANN LA ROCHE 2011-08-24 CN disclosed
CN-102015705-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
CN-100579957-C Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-01-13 CN disclosed
CN-100526298-C Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2009-08-12 CN disclosed
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 CN disclosed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 CN disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN disclosed