SCHEMBL22919489

SCHEMBL22919489

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.35
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NOD1 Q9Y239 1/20 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
SCHEMBL468949 0.87 KISS1R (0.36) KISS1RNOD1
SCHEMBL20375787 0.83 FURIN (0.36) KISS1RSIRT6SIRT1NOD1
SCHEMBL22268958 0.81 KISS1R (0.34) KISS1RSIRT6SIRT1NOD1
SCHEMBL20793386 0.81 KISS1R (0.34) KISS1RSIRT6SIRT1NOD1
SCHEMBL12890790 0.79 KISS1R (0.53) KISS1R
SCHEMBL13366903 0.79 KISS1R (0.53) KISS1R
SCHEMBL14525182 0.79 KISS1R (0.53) KISS1R
SCHEMBL21781952 0.79 GNPAT (0.35) KISS1R
SCHEMBL23743653 0.76 KISS1R (0.36) KISS1RSIRT6SIRT1
SCHEMBL14951121 0.76 NOD1 (0.32) 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
EP-3769776-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2021-01-27 EP disclosed