SCHEMBL7692452

SCHEMBL7692452

CCOC(=O)CCNC(=O)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NR3C1 P04150 1/20 0.34
LTA4H P09960 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKA O14965 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
KLKB1 P03952 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
SCHEMBL7686590 0.93 LMNA (0.34) ADRB1ADRB3NR3C1LMNAMEN1
SCHEMBL7692118 0.91 AURKA (0.37) ADRB1ADRB3LMNAMEN1KMT2A
SCHEMBL7688229 0.91 MEN1 (0.35) ADRB1ADRB3NR3C1LMNAMEN1
Hydrochloric Acid SCHEMBL7689573 0.87 SLC2A1 (0.34) ADRB1ADRB3
Hydrochloric Acid SCHEMBL7689576 0.87 SLC2A1 (0.34) ADRB1ADRB3
SCHEMBL7693347 0.87 MET (0.35) ADRB1ADRB3MAPTMAPK1AURKA
SCHEMBL7687331 0.86 AURKA (0.39) ADRB1ADRB3LMNAMEN1KMT2A
SCHEMBL7693500 0.85 ALDH1A1 (0.35) ADRB1ADRB3NR3C1LMNAMEN1
SCHEMBL7694521 0.85 ADRB3 (0.49) ADRB1ADRB3
SCHEMBL7687663 0.84 ALDH1A1 (0.37) LMNAMEN1KMT2AMAPTMAPK1

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed