SCHEMBL7862933

SCHEMBL7862933

CC(=O)S[C@H]1C[C@@H](CSc2ccc(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)cc2S(N)(=O)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SCN9A Q15858 1/20 0.34
CA2 P00918 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CCR5 P51681 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7859871 0.82 DPP8 (0.40) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7860568 0.82 HTT (0.38) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7858337 0.81 CA2 (0.40) CA2MAPTALDH1A1CCR5CYP3A4
SCHEMBL7859712 0.81 DPP8 (0.39) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7860576 0.81 DPP8 (0.39) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7859865 0.80 DPP8 (0.38) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL7858333 0.79 MAOB (0.39) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL8098745 0.78 DPP8 (0.39) DPP8DPP9MAPTALDH1A1CCR5
SCHEMBL7854735 0.78 DPP8 (0.36) DPP8DPP9PSEN1PSEN2APH1B
SCHEMBL8112112 0.77 CTSL (0.39) DPP8DPP9MAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed