SCHEMBL7687814

SCHEMBL7687814

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.39
ADRB1 P08588 7/20 0.39
ADRB2 P07550 4/20 0.37
MET P08581 2/20 0.36
LPAR1 Q92633 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 2/20 0.35
SLC2A1 P11166 1/20 0.35
AURKA O14965 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL7687817 1.00 ADRB3 (0.39) ADRB3ADRB1ADRB2METLPAR1
SCHEMBL7693505 0.94 ADRB3 (0.44) ADRB3ADRB1ADRB2METLPAR1
SCHEMBL7693501 0.94 ADRB3 (0.44) ADRB3ADRB1ADRB2METLPAR1
SCHEMBL7691993 0.90 ADRB3 (0.38) ADRB3ADRB1ADRB2METLPAR1
SCHEMBL7691997 0.90 ADRB3 (0.38) ADRB3ADRB1ADRB2METLPAR1
SCHEMBL7689078 0.90 SLC2A1 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7689081 0.90 SLC2A1 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7688932 0.90 ADRB3 (0.39) ADRB3ADRB1ADRB2METADRA1D
SCHEMBL7688930 0.90 ADRB3 (0.39) ADRB3ADRB1ADRB2METADRA1D
SCHEMBL7689699 0.89 ADRB3 (0.38) ADRB3ADRB1ADRB2METADRA1D

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