SCHEMBL9544232

SCHEMBL9544232

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
ADORA1 P30542 1/20 0.59
HCRTR2 O43614 4/20 0.57
DPP8 Q6V1X1 1/20 0.56
DPP9 Q86TI2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
MAPK1 P28482 1/20 0.55
SCN9A Q15858 2/20 0.54
HCRTR1 O43613 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 1/20 0.52

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
SCHEMBL1357714 1.00 KMT2A (0.69) KMT2AADORA1HCRTR2DPP8DPP9
SCHEMBL1357718 1.00 KMT2A (0.69) KMT2AADORA1HCRTR2DPP8DPP9
SCHEMBL6164761 0.92 KMT2A (0.60) KMT2AADORA1DPP8DPP9HDAC8
SCHEMBL8244870 0.92 KMT2A (0.60) KMT2AADORA1DPP8DPP9HDAC8
SCHEMBL9545302 0.90 KMT2A (0.55) KMT2AADORA1HCRTR2HDAC8MAPK1
SCHEMBL6163179 0.88 ADORA1 (0.60) KMT2AADORA1HCRTR2MAPK1SCN9A
SCHEMBL6163173 0.88 ADORA1 (0.60) KMT2AADORA1HCRTR2MAPK1SCN9A
SCHEMBL6428456 0.88 HCRTR2 (0.76) KMT2AADORA1HCRTR2HCRTR1
SCHEMBL9542529 0.85 CCKBR (0.58) CTSSCTSKCTSLACE
SCHEMBL13291363 0.84 KMT2A (0.64) KMT2AADORA1MAPK1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed