SCHEMBL8924556

SCHEMBL8924556

CC(C(=O)NCC(N)=O)C(S)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTR2A P28223 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8693510 1.00 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8689896 0.91 DPP8 (0.37) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8689975 0.90 HTR2A (0.37) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8691727 0.88 TDP1 (0.38) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8922523 0.88 TDP1 (0.38) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8691061 0.87 HTR2A (0.38) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8922560 0.87 HTR2A (0.38) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8694746 0.85 DPP8 (0.37) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL9390729 0.84 HTR2A (0.44) DPP8DPP9ALDH1A1MAPTHTR2A
SCHEMBL8697407 0.84 HTR2A (0.44) DPP8DPP9ALDH1A1MAPTHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed