SCHEMBL7693483

SCHEMBL7693483

CC(C)NC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.57
ADRB1 P08588 11/20 0.57
MET P08581 3/20 0.42
ADRB2 P07550 1/20 0.40
CYP2D6 P10635 1/20 0.40
AURKA O14965 1/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
AURKB Q96GD4 1/20 0.40
ABCB1 P08183 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7689875 0.93 ADRB3 (0.52) ADRB3ADRB1METAURKALCK
SCHEMBL7692653 0.92 ADRB3 (0.51) ADRB3ADRB1METAURKALCK
SCHEMBL6479461 0.91 ADRB3 (0.58) ADRB3ADRB1METADRB2
SCHEMBL6479456 0.91 ADRB3 (0.58) ADRB3ADRB1METADRB2
SCHEMBL7699516 0.91 ADRB3 (0.50) ADRB3ADRB1METADRB2
SCHEMBL7691872 0.90 ADRB3 (0.49) ADRB3ADRB1METTDP1
SCHEMBL7693978 0.90 ADRB3 (0.58) ADRB3ADRB1METADRB2AURKA
SCHEMBL7692899 0.90 ADRB3 (0.50) ADRB3ADRB1MET
SCHEMBL7692667 0.90 ADRB3 (0.50) ADRB3ADRB1METADRB2AURKA
SCHEMBL6490059 0.90 ADRB3 (0.53) ADRB3ADRB1METADRB2TDP1

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