SCHEMBL29181968

SCHEMBL29181968

Cc1nc(C(O)C2CCCN2C(=O)OC(C)(C)C)no1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
USP30 Q70CQ3 3/20 0.38
DPP4 P27487 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE8B O95263 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL6528830 1.00 ALDH1A1 (0.40) ALDH1A1GPR119USP30DPP4L3MBTL1
SCHEMBL29182025 0.85 GPR119 (0.38) ALDH1A1GPR119USP30DPP4L3MBTL1
SCHEMBL29182028 0.85 GPR119 (0.38) ALDH1A1GPR119USP30DPP4L3MBTL1
SCHEMBL29181976 0.83 DPP4 (0.39) GPR119DPP4DPP8DPP7
SCHEMBL6528675 0.83 ALDH1A1 (0.40) ALDH1A1GPR119USP30L3MBTL1TSHR
SCHEMBL6530125 0.80 ALDH1A1 (0.40) ALDH1A1GPR119USP30DPP4L3MBTL1
SCHEMBL17069022 0.77 ALDH1A1 (0.48) ALDH1A1GPR119USP30DPP4L3MBTL1
SCHEMBL5156918 0.75 HSD17B10 (0.47) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL6527845 0.74 DPP4 (0.61) ALDH1A1GPR119USP30DPP4L3MBTL1
SCHEMBL20256229 0.74 HSD17B10 (0.49) ALDH1A1MEN1KMT2AHSD17B10LMNA

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
CN-117769443-A Fibroblast activation protein inhibitor and use thereof 3B制药有限公司 2024-03-26 CN disclosed