SCHEMBL18215014

SCHEMBL18215014

C=CCONC1C=C(c2ncco2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
GPR119 Q8TDV5 8/20 0.32
NAMPT P43490 3/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
AOC3 Q16853 1/20 0.31
USP30 Q70CQ3 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL994973 0.78 NAMPT (0.36) GPR119NAMPTF13A1TGM2TGM1
SCHEMBL18209882 0.77 FAAH (0.43) FAAHGPR119NAMPTUSP30
SCHEMBL20028531 0.75 LTA4H (0.34)
SCHEMBL28462761 0.71 MET (0.36) FAAHGPR119
SCHEMBL19990046 0.71
SCHEMBL995183 0.71 NR1H2 (0.36) GPR119NAMPTF13A1TGM2TGM1
SCHEMBL5185621 0.71 NAMPT (0.36) GPR119NAMPTF13A1TGM2TGM1
SCHEMBL18209945 0.70
SCHEMBL20028660 0.69 FAAH (0.45) FAAHGPR119
SCHEMBL5225649 0.69 POLB (0.38) GPR119NAMPTUSP30

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-3300736-B1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2021-05-05 EP disclosed
CN-107580595-B Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2020-09-18 CN disclosed
EP-3292125-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2019-09-04 EP disclosed
WO-2018060484-A1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-04-05 WO disclosed
EP-3300736-A1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-04-04 EP disclosed
WO-2016177862-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2016-11-10 WO disclosed