SCHEMBL22698746

SCHEMBL22698746

CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.38
▸ CTSL P07711 1/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ BMP1 P13497 1/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ SIRT5 Q9NXA8 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
SCHEMBL25773953 0.90 BMP1 (0.37) FURINCTSLNMT2NMT1SIRT6
SCHEMBL29385639 0.89 C3AR1 (0.45) FURINC3AR1
SCHEMBL22524830 0.88 C3AR1 (0.41) NMT2NMT1SIRT6SIRT1BMP1
SCHEMBL25773985 0.88 FURIN (0.40) FURINCTSLNMT2NMT1SIRT6
SCHEMBL23736705 0.87 FURIN (0.36) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL20795891 0.87 FURIN (0.36) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL20159819 0.87 FURIN (0.36) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL31454057 0.87 FURIN (0.42) FURINCTSLNMT2NMT1SIRT6
SCHEMBL17752431 0.86 NMT2 (0.41) FURINCTSLNMT2NMT1PRSS1
SCHEMBL16091800 0.86 NMT2 (0.41) FURINCTSLNMT2NMT1PRSS1

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-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 — — EP disclosed
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