SCHEMBL22147488

SCHEMBL22147488

CC(=O)[C@@H](N)Cc1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MME P08473 3/20 0.44
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
OPRM1 P35372 7/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL12240915 1.00 DPP4 (0.48) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL10925103 1.00 DPP4 (0.48) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL160632 0.85 SLC7A5 (0.58) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL10074959 0.85 SLC7A5 (0.58) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL5257074 0.85 DPP4 (0.48) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL17449974 0.85 DPP4 (0.48) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL160633 0.85 SLC7A5 (0.58) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL8703272 0.83 MME (0.49) DPP4SLC1A3SLC1A2SLC1A1MME
SCHEMBL26903695 0.83 MME (0.49) DPP4SLC1A3SLC1A2SLC1A1MME
SCHEMBL5222079 0.83 SLC1A3 (0.47) DPP4DPP8DPP9SLC1A3SLC1A2

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-2020131283-A1 ANALOGS THAT TARGET MITOCHONDRIAL DISEASES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 WO disclosed