SCHEMBL8290251

SCHEMBL8290251

N[C@@H](CC(=O)N1CC(CNS(=O)(=O)c2ccccc2)C1)CC1C=CC=CC1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
GBA1 P04062 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
TPSAB1 Q15661 1/20 0.39
POLB P06746 2/20 0.37
TBXA2R P21731 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
SCHEMBL4955396 0.78 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL8290123 0.78 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL4955293 0.70 DPP4 (0.72) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL8289007 0.70 DPP4 (0.72) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL14282750 0.67 DPP4 (0.51) DPP4DPP8DPP9DPP7
SCHEMBL8290078 0.67 TGFBR1 (0.63) CTSLCTSBCTSKGBA1MEN1
SCHEMBL27923093 0.64 GBA1 (0.68) CTSLCTSBCTSKGBA1MEN1
SCHEMBL25202837 0.64 ALDH1A1 (0.65) CTSLCTSBCTSKGBA1MEN1
SCHEMBL27307114 0.64 NPC1 (0.49) MEN1KMT2AALDH1A1PKMPOLB
SCHEMBL27917924 0.63 ALDH1A1 (0.70) CTSLCTSBCTSKGBA1MEN1

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-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed