SCHEMBL22987322

SCHEMBL22987322

CNC(Cc1ccccc1)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.69
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
MGLL Q99685 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CTSS P25774 3/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 3/20 0.41
CTSB P07858 1/20 0.41
FAAH O00519 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL24765686 0.88 AKT1 (0.66) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915431 0.88 AKT1 (0.66) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22987328 0.88 AKT1 (0.57) AKT1GSK3AGSK3BMGLLTSHR
SCHEMBL22987290 0.87 AKT1 (0.69) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915374 0.86 AKT1 (0.71) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915399 0.86 AKT1 (0.71) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22987323 0.85 AKT1 (0.66) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915395 0.83 AKT1 (0.67) AKT1L3MBTL1CTSSCTSLCTSB
SCHEMBL22915477 0.82 AKT1 (1.00) AKT1CTSSCTSKCTSLCTSB
SCHEMBL22915528 0.82 AKT1 (0.58) AKT1OPRM1OPRD1OPRK1GSK3A

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
EP-3778653-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2021-02-17 EP disclosed