SCHEMBL28046877

SCHEMBL28046877

CCOC(=O)C(CN1CCCCC1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
CHRM2 P08172 2/20 0.39
ADRA2B P18089 2/20 0.39
DRD3 P35462 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL28046867 0.80 ALDH1A1 (0.58) L3MBTL1MAPTNPSR1KMT2AALDH1A1
SCHEMBL23376910 0.79 MAPT (0.64) L3MBTL1MAPTNPSR1MAPK1KMT2A
SCHEMBL28794446 0.79 MAPT (0.64) L3MBTL1MAPTNPSR1MAPK1KMT2A
SCHEMBL6543659 0.79 CHRM2 (0.51) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9341315 0.78 MAPT (0.55) L3MBTL1MAPTNPSR1MAPK1ALDH1A1
SCHEMBL10589007 0.77 NPSR1 (0.50) L3MBTL1MAPTNPSR1MAPK1KMT2A
SCHEMBL2299409 0.77 MAPT (0.43) L3MBTL1MAPTNPSR1MAPK1KMT2A
SCHEMBL2959602 0.77 KMT2A (0.43) L3MBTL1MAPTNPSR1KMT2AMEN1
SCHEMBL25322115 0.77 CHRM2 (0.49) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL20589054 0.76 ALDH1A1 (0.43) L3MBTL1MAPTNPSR1MAPK1KMT2A

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
CN-105130834-B A kind of preparation method of β amidos alpha amino acid ester derivative 中国科学院兰州化学物理研究所 2017-06-23 CN disclosed
CN-105130834-A Preparation method of beta-amido-alpha-amino-acid ester derivative LANZHOU CHEM PHYS INST 2015-12-09 CN disclosed