SCHEMBL6942902

SCHEMBL6942902

O=C(NCCOCC(=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 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
PREP P48147 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RECQL P46063 1/20 0.35
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
SCHEMBL6939196 0.90 PREP (0.44) DPP8DPP9PREPSMN1; SMN2P2RX7
SCHEMBL6949361 0.90 DPP8 (0.39) DPP8DPP9PREPP2RX7RECQL
SCHEMBL6944285 0.87 DPP8 (0.45) DPP8DPP9PREPP2RX7PKM
SCHEMBL6943475 0.85 DPP8 (0.44) DPP8DPP9PREPLMNASMN1; SMN2
SCHEMBL6944029 0.84 ATM (0.40) ATM
SCHEMBL6944292 0.84 CCR5 (0.38) NPC1RAB9ARECQLATM
Dimethylamine SCHEMBL6944296 0.83 ATM (0.38) P2RX7ATM
SCHEMBL6945390 0.82 ALDH1A1 (0.37) DPP8DPP9SMN1; SMN2P2RX7RECQL
SCHEMBL6945782 0.81 MMP9 (0.42) SMN1; SMN2KMT2A
SCHEMBL8988351 0.81 DPP8 (0.39) DPP8DPP9NPC1RAB9AP2RX7

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-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-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed