SCHEMBL15840394

SCHEMBL15840394

CC[C@H](C)[C@H](NC(=O)CNC)C(=O)NCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ANPEP P15144 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ENPEP Q07075 4/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
HSPA5 P11021 1/20 0.32
HSPA2 P54652 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
SCHEMBL15840471 0.86 KMT2A (0.37) HTTCTSSCTSKMEN1LMNA
SCHEMBL24101329 0.86 CTSS (0.40) HTTL3MBTL1CTSSCTSKMME
SCHEMBL15839931 0.84 KEAP1 (0.33) CTSSALDH1A1CTSLLMNA
SCHEMBL17323496 0.84 KEAP1 (0.33) CTSSALDH1A1CTSLLMNA
SCHEMBL22037289 0.84 L3MBTL1 (0.39) HTTL3MBTL1CTSSCTSKMME
SCHEMBL18558136 0.84 HTT (0.53) HTTL3MBTL1CTSSCTSKMME
SCHEMBL30493798 0.83 MEN1 (0.45) HTTL3MBTL1CTSSCTSKMME
SCHEMBL24101242 0.82 ALDH1A1 (0.40) HTTL3MBTL1CTSSCTSKMME
SCHEMBL17323366 0.82 L3MBTL1 (0.42) HTTL3MBTL1CTSSCTSKMME
SCHEMBL5177757 0.81 HTT (0.42) HTTL3MBTL1CTSSCTSKMME

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-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed