SCHEMBL6944292

SCHEMBL6944292

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
Dimethylamine SCHEMBL6944296 0.88 ATM (0.38) ALDH1A1HTTATMTDP1
SCHEMBL6949361 0.87 DPP8 (0.39) ALDH1A1ATMTDP1KDM4ERECQL
SCHEMBL6945782 0.87 MMP9 (0.42) ALDH1A1
SCHEMBL6944029 0.87 ATM (0.40) CCR5ALDH1A1HTTATMTDP1
SCHEMBL6945390 0.86 ALDH1A1 (0.37) CCR5ALDH1A1HTTATMTDP1
SCHEMBL8988351 0.85 DPP8 (0.39) ATMTDP1NPC1RAB9A
SCHEMBL6939196 0.85 PREP (0.44) ALDH1A1HTT
SCHEMBL6939249 0.84 KMT2A (0.41) CCR5ALDH1A1KDM4ERECQL
SCHEMBL6945381 0.84 ATM (0.45) CCR5ALDH1A1HTTATMTDP1
SCHEMBL6942902 0.84 DPP8 (0.39) ATMRECQLNPC1RAB9A

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 4 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
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed