SCHEMBL6556264

SCHEMBL6556264

CCOC(Cn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ncc(NC(=O)OCc2ccccc2)c1=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.56
P2RX3 P56373 1/20 0.42
CASP1 P29466 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6556251 0.93 ELANE (0.65) ELANEP2RX3
SCHEMBL6557678 0.88 ELANE (0.60) ELANEP2RX3NPC1RAB9A
SCHEMBL6556275 0.87 ELANE (0.57) ELANEP2RX3CASP1
SCHEMBL6556272 0.86 ELANE (0.61) ELANEP2RX3CASP1NPC1RAB9A
SCHEMBL6558195 0.86 ELANE (0.55) ELANEP2RX3
SCHEMBL6556313 0.85 ELANE (0.55) ELANE
SCHEMBL6557643 0.84 ELANE (0.64) ELANE
SCHEMBL6558300 0.84 ELANE (0.63) ELANEP2RX3
SCHEMBL6556097 0.84 ELANE (0.56) ELANEP2RX3CASP1NPC1RAB9A
SCHEMBL7155919 0.84 ELANE (0.54) ELANEP2RX3CASP1

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
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed