SCHEMBL7301356

SCHEMBL7301356

COC(Cn1c(-c2cccnc2)ncc(NC(=O)OCc2ccccc2)c1=O)OC

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.64
P4HTM Q9NXG6 1/20 0.47
P2RX3 P56373 1/20 0.43

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
SCHEMBL6086170 0.93 ELANE (0.62) ELANEP2RX3
SCHEMBL6558295 0.91 ELANE (0.62) ELANEP4HTM
SCHEMBL7289416 0.86 ELANE (0.64) ELANEP4HTM
SCHEMBL6558251 0.86 ELANE (0.69) ELANEP4HTM
SCHEMBL6558341 0.84 ELANE (0.62) ELANEP4HTMP2RX3
SCHEMBL6557678 0.83 ELANE (0.60) ELANEP2RX3
SCHEMBL6556313 0.82 ELANE (0.55) ELANE
SCHEMBL7296453 0.82 ELANE (0.64) ELANEP2RX3
SCHEMBL8405263 0.81 ELANE (0.58) ELANEP4HTM
SCHEMBL6556275 0.80 ELANE (0.57) ELANEP2RX3

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-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP disclosed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP disclosed