SCHEMBL9199451

SCHEMBL9199451

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
FAP Q12884 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 2/20 0.35
HTR2A P28223 1/20 0.35
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 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
SCHEMBL8694772 0.84 ALDH1A1 (0.37) ALDH1A1DPP4DPP7MAPTHPGD
SCHEMBL8694780 0.84 TDP1 (0.37) ALDH1A1DPP4DPP7MAPTHPGD
SCHEMBL8691720 0.84 ALDH1A1 (0.35) ALDH1A1DPP4DPP7MAPTHPGD
SCHEMBL8922516 0.84 ALDH1A1 (0.35) ALDH1A1DPP4DPP7MAPTHPGD
SCHEMBL8691023 0.83 HTR2A (0.37) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL8923751 0.83 HTR2A (0.37) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL8924758 0.83 HTR2A (0.36) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL8691484 0.83 HTR2A (0.36) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL8697403 0.81 TDP1 (0.41) ALDH1A1DPP4DPP7MAPTHPGD
SCHEMBL8923238 0.81 ALDH1A1 (0.36) ALDH1A1DPP4DPP7MAPTHPGD

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
EP-0674640-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP (KR) 1995-10-04 EP disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed