SCHEMBL11085637

SCHEMBL11085637

CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.65
MMP1 P03956 7/20 0.54
MMP2 P08253 5/20 0.54
MMP3 P08254 4/20 0.54
MMP9 P14780 3/20 0.53
MMP8 P22894 3/20 0.53
MMP7 P09237 2/20 0.53
FCER2 P06734 1/20 0.53
CTSS P25774 2/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 1/20 0.53
CTSK P43235 1/20 0.53

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
SCHEMBL22927767 0.94 REN (0.62) RENCTSSCTSBCTSLCTSK
SCHEMBL24084059 0.91 REN (0.64) RENCTSSCTSBCTSLCTSK
SCHEMBL22300786 0.91 REN (0.64) RENCTSSCTSBCTSLCTSK
SCHEMBL30692461 0.91 REN (0.64) RENCTSSCTSBCTSLCTSK
SCHEMBL30052641 0.90 REN (0.62) RENCTSSCTSBCTSLCTSK
SCHEMBL26835279 0.90 REN (0.62) RENCTSSCTSBCTSLCTSK
SCHEMBL22928874 0.90 REN (0.71) RENMMP1MMP2MMP3MMP9
SCHEMBL23463473 0.89 REN (0.69) RENCTSSCTSBCTSLCTSK
SCHEMBL23447158 0.89 REN (0.60) RENCTSSCTSBCTSLCTSK
SCHEMBL22301132 0.89 REN (0.61) RENCTSSCTSBCTSLCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4483988-A Substituted derivatives of 4-t-alkoxycarbonyl-piperazin-2-ones RICHARDSON MERRELL INC. (US) 1984-11-20 US disclosed
US-4435571-A 5-(Substituted benzyl)-6-oxo-2-piperazine carboxylic acids and esters RICHARDSON MERRELL INC. (US) 1984-03-06 US disclosed
US-4341698-A Enkaphalin derivatives RICHARDSON-MERRELL INC. (US) 1982-07-27 US disclosed