SCHEMBL19975609

SCHEMBL19975609

COC(=O)c1cc(C)cc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)cc(C)n3)CCN(Cc3cc(C(=O)OCc4ccccc4)cc(C)n3)C[C@@H]2CCCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD2 P14416 4/20 0.34
ABCB1 P08183 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 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
SCHEMBL19975607 0.97 CHRM4 (0.40) CHRM4MAPTSIGMAR1DRD2ABCB1
SCHEMBL19975780 0.94 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2ABCB1
SCHEMBL19975783 0.89 MAPT (0.39) MAPTSIGMAR1DRD2ABCB1ITGB3
SCHEMBL19975612 0.88 POLB (0.35) MAPTSIGMAR1DRD2ABCB1ITGB3
SCHEMBL19975616 0.86 L3MBTL1 (0.36) MAPTSIGMAR1DRD2ABCB1ITGB3
SCHEMBL19975613 0.85 CHRM4 (0.40) CHRM4MAPTSIGMAR1DRD2ITGB3
SCHEMBL19975615 0.82 MAPT (0.33) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975776 0.82 CHRM4 (0.39) CHRM4MAPTSIGMAR1DRD2ABCB1
SCHEMBL19975781 0.82 ALDH1A1 (0.39) CHRM4SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL19975610 0.80 MAPT (0.35) MAPTSIGMAR1ABCB1ITGB3ITGA2B

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