SCHEMBL15840471

SCHEMBL15840471

CNCC(=O)N[C@H](C(=O)NCC(N)=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
OPRD1 P41143 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
ECE1 P42892 2/20 0.32
FURIN P09958 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17323496 0.89 KEAP1 (0.33) LMNACTSS
SCHEMBL15839931 0.89 KEAP1 (0.33) LMNACTSS
SCHEMBL15840394 0.86 HTT (0.40) KMT2ALMNACTSSCTSKHTT
SCHEMBL7200312 0.85 KMT2A (0.38) KMT2APOLBLMNACTSSCTSK
SCHEMBL7200310 0.85 KMT2A (0.38) KMT2APOLBLMNACTSSCTSK
SCHEMBL23774717 0.83
SCHEMBL23764912 0.83
SCHEMBL25046492 0.83 CTSS (0.34) KMT2APOLBLMNACTSSCTSK
SCHEMBL15705316 0.83 CTSS (0.34) KMT2APOLBLMNACTSSCTSK
SCHEMBL22829568 0.81 KMT2A (0.47) KMT2APOLBLMNACTSSCTSK

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