SCHEMBL7694151

SCHEMBL7694151

CCS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)ccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.37
ADRB1 P08588 10/20 0.37
MET P08581 1/20 0.37
ADRB2 P07550 8/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 1/20 0.35
KDR P35968 2/20 0.35
PDGFRA P16234 1/20 0.35
SCN9A Q15858 1/20 0.34
GLA P06280 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
SCHEMBL7694153 1.00 ADRB3 (0.37) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7687452 0.96 ADRB3 (0.38) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7687454 0.96 ADRB3 (0.38) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7689702 0.95 ADRB3 (0.38) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7689699 0.95 ADRB3 (0.38) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7688932 0.92 ADRB3 (0.39) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7688930 0.92 ADRB3 (0.39) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7688880 0.90 KDR (0.39) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7688878 0.90 KDR (0.39) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7693501 0.89 ADRB3 (0.44) ADRB3ADRB1METADRB2ADRA1D

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