SCHEMBL8440367

SCHEMBL8440367

NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 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
Trifluoromethanesulfonic Acid SCHEMBL9124695 0.91 CCR5 (0.36) DPP8DPP9RAB9ANPC1
SCHEMBL9728223 0.88 DPP8 (0.46) DPP8DPP9NPBWR1MCHR1
SCHEMBL8835181 0.88 KCNJ1 (0.37) DPP8DPP9NPBWR1MCHR1KCNJ1
SCHEMBL9119637 0.87 DPP8 (0.45) DPP8DPP9NPBWR1MCHR1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL8435997 0.86 DPP8 (0.36) DPP8DPP9NPBWR1MCHR1
SCHEMBL9042781 0.86 HRH2 (0.39) NPBWR1MCHR1KCNJ1KCNH2
SCHEMBL8438589 0.85 KCNJ1 (0.42) KCNJ1KCNH2
SCHEMBL8536750 0.85 KCNJ1 (0.42) KCNJ1KCNH2
SCHEMBL8541140 0.85 RAB9A (0.41) DPP8DPP9RAB9ANPC1
SCHEMBL8438677 0.85 RAB9A (0.41) DPP8DPP9RAB9ANPC1

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed