SCHEMBL20051415

SCHEMBL20051415

CC(=O)NC(C)CC(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.38
MTNR1A P48039 8/20 0.38
MTNR1B P49286 8/20 0.38
ALDH1A1 P00352 2/20 0.38
ACACB O00763 3/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 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
SCHEMBL12785388 0.82 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1ACACBKDM4E
Hydrochloric Acid SCHEMBL6045018 0.80 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1ACACBKDM4E
SCHEMBL1668685 0.78 ALDH1A1 (0.50) MTNR1AMTNR1BALDH1A1ACACBKDM4E
SCHEMBL795359 0.76 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1ACACBKDM4E
SCHEMBL4378947 0.76 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1ACACBKDM4E
SCHEMBL2766000 0.76 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1ACACBKDM4E
SCHEMBL6343473 0.75 MEN1 (0.46) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL25633074 0.74 MEN1 (0.42) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL25633073 0.74 MEN1 (0.42) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL20245188 0.74 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1ACACBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3522933-B1 METHODS FOR PREPARING ANTIBODY DRUG CONJUGATES HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
WO-2018065501-A1 METHODS FOR PREPARING ANTIBODY DRUG CONJUGATES F. HOFFMANN-LA ROCHE AG (CH) 2018-04-12 WO disclosed