SCHEMBL16797265

SCHEMBL16797265

CC(C)(C)OC(=O)C1CC(CBr)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
SCHEMBL29308168 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL934839 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL17715141 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL17715154 0.85 NR1H2 (0.43) ARG1NR1H2DPP4
SCHEMBL27600115 0.84 ARG1 (0.34) ARG1NR1H2DPP4
SCHEMBL27418796 0.83 DPP4 (0.44) ARG1NR1H2DPP4
SCHEMBL27671561 0.81 DPP4 (0.33) ARG1NR1H2DPP4
SCHEMBL6110183 0.79 KMT2A (0.34) ARG1NR1H2DPP4
SCHEMBL31000726 0.78 DPP4 (0.33) ARG1NR1H2DPP4
SCHEMBL29851008 0.78 DPP4 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080100-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2016-10-19 EP disclosed
WO-2015089192-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2015-06-18 WO disclosed