SCHEMBL23018211

SCHEMBL23018211

C=CCC(O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NN1C(=O)C(Br)=C(Br)C1=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 3/20 0.33
▸ NPY1R P25929 2/20 0.33
▸ FURIN P09958 4/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ ADAM10 O14672 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP12 P39900 1/20 0.30
▸ MMP14 P50281 1/20 0.30
▸ ADAM8 P78325 1/20 0.30
▸ ADAM17 P78536 1/20 0.30

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
SCHEMBL23395778 0.85 ADAM10 (0.39) NPY4RNPY1RFURINNPY2RNPY5R
SCHEMBL25140406 0.77 CTSS (0.42) —
SCHEMBL20029727 0.74 FURIN (0.35) NPY4RNPY1RFURINNPY2RNPY5R
SCHEMBL21788077 0.69 FURIN (0.38) NPY4RNPY1RFURINNPY2RNPY5R
SCHEMBL27352679 0.69 FURIN (0.38) NPY4RNPY1RFURINNPY2RNPY5R
SCHEMBL23682482 0.69 DPP4 (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL23917914 0.68 FURIN (0.32) FURIN
SCHEMBL20159819 0.67 FURIN (0.36) NPY4RNPY1RFURINNPY2RNPY5R
SCHEMBL20795891 0.67 FURIN (0.36) NPY4RNPY1RFURINNPY2RNPY5R
SCHEMBL23736705 0.67 FURIN (0.36) NPY4RNPY1RFURINNPY2RNPY5R

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-3521314-B1 ANTIBODY-DRUG CONJUGATES AND USE THEREOF IN THERAPY MC SAF (FR) 2021-02-24 — — EP disclosed
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