SCHEMBL28107338

SCHEMBL28107338

Cc1ccc(N)c(N)c1CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
LMNA P02545 1/20 0.32
GRM6 O15303 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
SLC7A5 Q01650 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16410354 0.83 MTNR1A (0.39) MTNR1AMTNR1BTDP1DDB1CRBN
SCHEMBL2556108 0.78 MTNR1A (0.42) MTNR1AMTNR1BL3MBTL1SLC7A5KMT2A
SCHEMBL17772631 0.78 MTNR1A (0.36) MTNR1AMTNR1BGRM6SLC7A5AAK1
SCHEMBL2432439 0.75 ALDH1A1 (0.45) MTNR1AMTNR1BMAPTTDP1SLC7A5
SCHEMBL28460387 0.74 MTNR1A (0.44) MTNR1AMTNR1BLMNAL3MBTL1
SCHEMBL30038691 0.74 MTNR1A (0.44) MTNR1AMTNR1BLMNAL3MBTL1
SCHEMBL17772621 0.73 MTNR1A (0.33) MTNR1AMTNR1BGRM6
SCHEMBL13136744 0.72 MAPK1 (0.45) MTNR1AMTNR1BLMNAGAAKMT2A
SCHEMBL16410214 0.72 MTNR1A (0.44) MTNR1AMTNR1BL3MBTL1SLC7A5
SCHEMBL18086521 0.72 MTNR1A (0.44) MTNR1AMTNR1BMAPTTDP1L3MBTL1

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
CN-106132406-A β substituted γ aminoacid and analog as chemotherapeutics 夸德里加生物科学公司 2016-11-16 CN disclosed