SCHEMBL7064689

SCHEMBL7064689

CC1=C2OC(C(=O)NCc3ccccc3)=CN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O.NCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.41
KLK1 P06870 10/20 0.38
ELANE P08246 3/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL6477069 0.91 S1PR3 (0.39) KLKB1S1PR3
SCHEMBL6818974 0.83 S1PR3 (0.35) S1PR3
SCHEMBL7063737 0.80 KLKB1 (0.39) KLKB1KLK1ELANES1PR3
SCHEMBL6484477 0.79 HCAR3 (0.32)
SCHEMBL6484455 0.77 PTGER4 (0.38) S1PR3
SCHEMBL6814257 0.73 NAMPT (0.39) ELANES1PR3
SCHEMBL6814261 0.71 MEN1 (0.33)
SCHEMBL6477108 0.71 PTGER4 (0.39) S1PR3
SCHEMBL6477071 0.70 PTGER4 (0.38) S1PR3
SCHEMBL6476008 0.70 FFAR1 (0.34)

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-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed