SCHEMBL8920994

SCHEMBL8920994

CC(N)C(=O)C1CCN(C(=O)OC(C)(C)C)C1(C(=O)O)C(=O)C(C)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.33
DPP4 P27487 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
USP30 Q70CQ3 2/20 0.31
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8923888 0.78 SMN1; SMN2 (0.44) DPP4NPC1HTTRAB9AL3MBTL1
SCHEMBL15635758 0.70 GRIN2B (0.45) DPP4GRIN2BGRIN2CHPGDKDM1A
SCHEMBL11204598 0.64 GRIN2B (0.46) GRIN2BGRIN2CHPGDKDM1A
SCHEMBL2738366 0.64 HSD11B1 (0.45) GPR119MAPTGRIN2BGRIN2CHPGD
SCHEMBL30601931 0.64 EPHX2 (0.43) GPR119GRIN2BGRIN2CHPGDCHRM2
SCHEMBL23942574 0.64 HSD11B1 (0.45) GPR119MAPTGRIN2BGRIN2CHPGD
SCHEMBL28735688 0.64 CHRM2 (0.41) GPR119HPGDCHRM2CHRM1CHRM3
SCHEMBL19312996 0.64 HSD11B1 (0.45) GPR119MAPTGRIN2BGRIN2CHPGD
SCHEMBL18669890 0.64 HSD11B1 (0.45) GPR119MAPTGRIN2BGRIN2CHPGD
SCHEMBL25347682 0.64 CHRM2 (0.37) GPR119MAPTHPGDCHRM2CHRM1

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
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed