SCHEMBL9546760

SCHEMBL9546760

CNC1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
CTSK P43235 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
PREP P48147 1/20 0.48
TSHR P16473 1/20 0.47
ELANE P08246 1/20 0.46
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CTSS P25774 1/20 0.42
CCR1 P32246 2/20 0.41
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL9546774 1.00 KMT2A (0.53) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL19981944 0.86 KMT2A (0.55) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL2775499 0.86 KMT2A (0.55) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL19981901 0.86 KMT2A (0.55) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL9546610 0.86 KMT2A (0.53) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL9546846 0.85 KMT2A (0.54) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL9102890 0.84 KMT2A (0.53) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL9102898 0.84 KMT2A (0.53) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL1706224 0.83 CTSK (0.64) KMT2AMEN1CTSKCTSLCTSB
SCHEMBL9102129 0.83 CTSK (0.60) KMT2AMEN1CTSKCTSLCTSB

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-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed