SCHEMBL8444893

SCHEMBL8444893

CN1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](C(N)C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HTR2A P28223 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CCR5 P51681 3/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7455301 1.00 DPP8 (0.40) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL8448876 0.83 GAA (0.39) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL7453980 0.83 GAA (0.39) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL8449102 0.82 DPP8 (0.35) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL8444873 0.82 DPP8 (0.35) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL8444875 0.81 DPP8 (0.34) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL8435987 0.81 HSD11B1 (0.44) DPP8DPP9ALDH1A1KMT2AATM
SCHEMBL8435984 0.81 HSD11B1 (0.44) DPP8DPP9ALDH1A1KMT2AATM
SCHEMBL7455314 0.80 DPP8 (0.43) DPP8DPP9ALDH1A1GAAHTR2A
SCHEMBL7455307 0.80 DPP8 (0.43) DPP8DPP9ALDH1A1GAAHTR2A

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
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed