SCHEMBL23395778

SCHEMBL23395778

CC(C)[C@H](NN1C(=O)C(Br)=C(Br)C1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM10 O14672 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ ADAM8 P78325 2/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ BMP1 P13497 6/20 0.33
▸ FURIN P09958 5/20 0.33
▸ C3AR1 Q16581 1/20 0.31
▸ NPY4R P50391 3/20 0.31
▸ NPY1R P25929 2/20 0.31
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31

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
SCHEMBL23018211 0.85 NPY4R (0.33) ADAM10MMP2MMP9ADAM8ADAM17
SCHEMBL20029727 0.80 FURIN (0.35) ADAM10MMP2MMP9ADAM8ADAM17
SCHEMBL21233231 0.75 DPP4 (0.40) ADAM10MMP2MMP9ADAM8ADAM17
SCHEMBL23736705 0.74 FURIN (0.36) MMP9BMP1FURINC3AR1NPY4R
SCHEMBL20795891 0.74 FURIN (0.36) MMP9BMP1FURINC3AR1NPY4R
SCHEMBL20159819 0.74 FURIN (0.36) MMP9BMP1FURINC3AR1NPY4R
SCHEMBL23236822 0.73 BMP1 (0.36) ADAM10MMP2MMP9ADAM8ADAM17
SCHEMBL21788077 0.73 FURIN (0.38) FURINC3AR1NPY4RNPY1RNPY2R
SCHEMBL27352679 0.73 FURIN (0.38) FURINC3AR1NPY4RNPY1RNPY2R
SCHEMBL23393940 0.72 SIRT5 (0.39) FURINC3AR1NPY4RNPY1RNPY2R

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
EP-3825304-A1 ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY Mc SAF (FR) 2021-05-26 — — EP disclosed
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