SCHEMBL6944285

SCHEMBL6944285

O=C(NCC[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](SC(=O)c3ccccc3)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
P2RX7 Q99572 1/20 0.40
PREP P48147 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TGM2 P21980 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
SCHEMBL6939196 0.88 PREP (0.44) DPP8DPP9P2RX7PREPTGM2
SCHEMBL6949361 0.88 DPP8 (0.39) DPP8DPP9P2RX7PREPATM
SCHEMBL6942902 0.87 DPP8 (0.39) DPP8DPP9P2RX7PREPATM
SCHEMBL8988351 0.86 DPP8 (0.39) DPP8DPP9P2RX7ATMTDP1
SCHEMBL6945227 0.85 DPP8 (0.51) DPP8DPP9P2RX7PREPTDP1
SCHEMBL6944029 0.84 ATM (0.40) ATMTDP1
Dimethylamine SCHEMBL6944296 0.84 ATM (0.38) P2RX7ATMTDP1
SCHEMBL6945388 0.83 DPP8 (0.42) DPP8DPP9P2RX7ATMTDP1
SCHEMBL6945782 0.82 MMP9 (0.42) KMT2A
SCHEMBL6944292 0.81 CCR5 (0.38) ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
EP-0737202-A1 HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1996-10-16 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
WO-1995018143-A1 HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1995-07-06 WO disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed