SCHEMBL16836728

SCHEMBL16836728

CC#CCOc1ccc2c(ccn2CC[C@@](C)(C(=O)NOC2CCCCO2)S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL16836724 1.00 MMP13 (0.34) MMP13ADAM17
SCHEMBL18421794 0.85 HTR7 (0.39)
SCHEMBL18422325 0.84 AR (0.36)
SCHEMBL18422324 0.84 AR (0.36)
SCHEMBL18422749 0.84
SCHEMBL18422746 0.84
SCHEMBL16836697 0.82 MMP1 (0.46) MMP13ADAM17
SCHEMBL18423138 0.82 MMP1 (0.46) MMP13ADAM17
SCHEMBL16836698 0.82 MMP1 (0.46) MMP13ADAM17
SCHEMBL16836940 0.80

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-3083567-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-10-26 EP disclosed
WO-2015091741-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-25 WO disclosed