SCHEMBL13258487

SCHEMBL13258487

COc1cc(-c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)n(C)n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 8/20 0.54
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
AKT1 P31749 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
SCN9A Q15858 2/20 0.44
CCKAR P32238 1/20 0.44
CCKBR P32239 1/20 0.44
ACE P12821 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CYP3A4 P08684 1/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL13258387 0.90 GPR142 (0.55) GPR142CTSSCTSKCTSBCTSL
SCHEMBL2686285 0.90 GPR142 (0.58) GPR142CYP3A4
SCHEMBL5960218 0.88 GPR142 (0.69) GPR142CTSSCTSKCTSBCTSL
SCHEMBL2684856 0.84 GPR142 (0.75) GPR142
SCHEMBL2684875 0.84 GPR142 (0.75) GPR142
SCHEMBL2684412 0.83 GPR142 (0.65) GPR142
SCHEMBL2684414 0.83 GPR142 (0.65) GPR142
SCHEMBL6804301 0.83 GPR142 (0.54) GPR142CTSSCTSKCTSBCTSL
SCHEMBL2684298 0.82 GPR142 (0.53) GPR142CYP3A4
SCHEMBL2684292 0.82 GPR142 (0.53) GPR142CYP3A4

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
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed