SCHEMBL19975776

SCHEMBL19975776

COC(=O)c1cc(C(=O)OCc2ccccc2)cc(CN2CCN[C@@H](CCCCNC(=O)OC(C)(C)C)CN(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)OC)n3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
MAPT P10636 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL19975613 0.97 CHRM4 (0.40) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975780 0.88 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975607 0.85 CHRM4 (0.40) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975783 0.82 MAPT (0.39) MAPTSIGMAR1DRD2L3MBTL1ITGB3
SCHEMBL19975609 0.82 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975760 0.79 KDM5C (0.43) SIGMAR1MEN1KMT2A
SCHEMBL19975749 0.79 KMT2A (0.45) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL19975600 0.75 CHRM3 (0.40) CHRM4MAPTSIGMAR1L3MBTL1MAPK1
SCHEMBL19975602 0.75 GPR119 (0.43) MAPTMEN1KMT2A
SCHEMBL19975781 0.75 ALDH1A1 (0.39) CHRM4SIGMAR1L3MBTL1

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
US-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed