SCHEMBL20375787

SCHEMBL20375787

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FURIN P09958 8/20 0.36
KISS1R Q969F8 1/20 0.36
SIRT5 Q9NXA8 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
GNPAT O15228 1/20 0.33
NOD1 Q9Y239 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL22268958 0.86 KISS1R (0.34) FURINKISS1RSIRT5SIRT2GNPAT
SCHEMBL20793386 0.86 KISS1R (0.34) FURINKISS1RSIRT5SIRT2GNPAT
SCHEMBL22919489 0.83 KISS1R (0.35) KISS1RNOD1SIRT6SIRT1
SCHEMBL21781952 0.81 GNPAT (0.35) FURINKISS1RSIRT5GNPAT
SCHEMBL21103049 0.81 SIRT5 (0.38) KISS1RSIRT5SIRT2NOD1SIRT6
SCHEMBL468949 0.72 KISS1R (0.36) KISS1RNOD1
SCHEMBL18823532 0.71 DPP4 (0.40) FURINGNPAT
SCHEMBL677459 0.71 NPY4R (0.46) SIRT5NOD1
SCHEMBL25561006 0.70 ECE1 (0.46)
SCHEMBL4254687 0.70 ECE1 (0.38) NOD1

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
WO-2018127699-A1 COMPOUNDS FOR TREATING CANCER Bicyclerd Limited (GB) 2018-07-12 WO disclosed