SCHEMBL8120102

SCHEMBL8120102

CC(C)(C)OC(=O)NCCC[C@H](C(N)=O)N(Cc1ccc(N)c(F)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8114739 0.84 MEN1 (0.39) MEN1KMT2AGAAUTS2RMMP1
SCHEMBL8120866 0.84 MAPT (0.41) MEN1KMT2AGAATDP1MAPT
SCHEMBL8123228 0.83 HDAC1 (0.43) MEN1KMT2ATDP1MAPTCA1
SCHEMBL8119338 0.82 MAPT (0.38) MEN1KMT2AGAATDP1MMP1
SCHEMBL8126609 0.81 MAPT (0.38) MEN1KMT2AGAATDP1MMP1
SCHEMBL8586561 0.79 NPSR1 (0.37) MEN1KMT2AGAAMMP1MMP3
SCHEMBL1259156 0.79 MEN1 (0.50) MEN1KMT2AGAATDP1MMP1
SCHEMBL8120100 0.78 NPY1R (0.50) MMP1MMP3MMP9CA1CA2
SCHEMBL8127522 0.78 MEN1 (0.32) MEN1KMT2ATDP1
SCHEMBL8528534 0.78 NPY1R (0.38) MEN1KMT2AGAAMAPTCA1

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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