SCHEMBL19975613

SCHEMBL19975613

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
MAPT P10636 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
IRF3 Q14653 1/20 0.33
STING1 Q86WV6 1/20 0.33

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
SCHEMBL19975776 0.97 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975607 0.88 CHRM4 (0.40) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975609 0.85 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975780 0.85 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2L3MBTL1
SCHEMBL19975600 0.80 CHRM3 (0.40) CHRM4MAPTSIGMAR1L3MBTL1MEN1
SCHEMBL19975595 0.80 TDP1 (0.43) CHRM4MAPTL3MBTL1MEN1KMT2A
SCHEMBL19975783 0.80 MAPT (0.39) MAPTSIGMAR1DRD2L3MBTL1ITGB3
SCHEMBL19975602 0.80 GPR119 (0.43) MAPTMEN1KMT2A
SCHEMBL19975603 0.77 PHGDH (0.41) CHRM4MAPTL3MBTL1MEN1KMT2A
SCHEMBL19975760 0.76 KDM5C (0.43) SIGMAR1MEN1KMT2A

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