SCHEMBL6556097

SCHEMBL6556097

O=CCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.56
P2RX3 P56373 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP1 P29466 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL6556126 0.92 ELANE (0.65) ELANEP2RX3NPC1RAB9A
SCHEMBL6556272 0.89 ELANE (0.61) ELANEP2RX3NPC1RAB9ACASP1
SCHEMBL6085892 0.87 ELANE (0.60) ELANEP2RX3NPC1RAB9A
SCHEMBL6558347 0.84 ELANE (0.58) ELANEP2RX3NPC1RAB9ACASP1
SCHEMBL6556264 0.84 ELANE (0.56) ELANEP2RX3NPC1RAB9ACASP1
SCHEMBL6557626 0.83 ELANE (0.54) ELANEP2RX3NPC1RAB9A
SCHEMBL6558401 0.83 ELANE (0.56) ELANEP2RX3NPC1RAB9A
SCHEMBL6556223 0.83 ELANE (0.62) ELANEP2RX3NPC1RAB9A
SCHEMBL6558159 0.83 ELANE (0.63) ELANE
SCHEMBL8404952 0.82 ELANE (0.52) ELANEP2RX3NPC1RAB9ACYP19A1

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 3 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
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed