SCHEMBL7445651

SCHEMBL7445651

COc1c(I)cc(C[C@H](Nc2nc3ccc(NC(=O)OC(C)(C)C)c(C)c3c(=O)o2)C(=O)NC(C)C)cc1I

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.58
CTRB1 P17538 5/20 0.58

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
SCHEMBL6503996 0.92 ELANE (0.60) ELANECTRB1
SCHEMBL7840236 0.91 ELANE (0.59) ELANECTRB1
SCHEMBL6498666 0.86 ELANE (0.62) ELANECTRB1
SCHEMBL7839374 0.85 ELANE (0.59) ELANECTRB1
SCHEMBL6505020 0.84 ELANE (0.59) ELANECTRB1
SCHEMBL6805157 0.83 ELANE (0.40) ELANECTRB1
SCHEMBL6534037 0.83 ELANE (0.40) ELANECTRB1
SCHEMBL7442928 0.82 ELANE (0.52) ELANECTRB1
SCHEMBL6801294 0.81 ELANE (0.47) ELANECTRB1
SCHEMBL6499066 0.81 ELANE (0.64) ELANECTRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed