SCHEMBL20170418

SCHEMBL20170418

COCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(NC(=O)CCCCNC(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.42
▸ NPY5R Q15761 5/20 0.40
▸ NPY1R P25929 4/20 0.40
▸ NPY4R P50391 4/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.39
▸ SIRT2 Q8IXJ6 8/20 0.39
▸ SIRT1 Q96EB6 7/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL21216267 0.92 SIRT5 (0.41) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL24831385 0.92 SIRT5 (0.41) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL17117123 0.92 SIRT5 (0.41) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL21966951 0.92 SIRT5 (0.41) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL19370650 0.91 SIRT5 (0.41) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL25064729 0.91 NPY5R (0.44) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL23515087 0.91 SIRT2 (0.46) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL19370639 0.90 SIRT5 (0.41) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL23385512 0.87 FURIN (0.39) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL25680283 0.86 FURIN (0.40) FURINSIRT5SIRT2SIRT1SIRT3

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-2895513-B1 FC CONTAINING POLYPEPTIDES WITH ALTERED GLYCOSYLATION AND REDUCED EFFECTOR FUNCTION GENZYME CORP (US) 2018-05-23 — — EP disclosed
Send feedback