SCHEMBL7693501

SCHEMBL7693501

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.44
ADRB1 P08588 6/20 0.43
LPAR1 Q92633 5/20 0.40
LPAR5 Q9H1C0 5/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ADRB2 P07550 1/20 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
SLC2A1 P11166 1/20 0.36

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
SCHEMBL7693505 1.00 ADRB3 (0.44) ADRB3ADRB1LPAR1LPAR5MET
SCHEMBL7687817 0.94 ADRB3 (0.39) ADRB3ADRB1LPAR1LPAR5MET
SCHEMBL7687814 0.94 ADRB3 (0.39) ADRB3ADRB1LPAR1LPAR5MET
SCHEMBL7691993 0.92 ADRB3 (0.38) ADRB3ADRB1LPAR1LPAR5MET
SCHEMBL7691997 0.92 ADRB3 (0.38) ADRB3ADRB1LPAR1LPAR5MET
SCHEMBL7688932 0.91 ADRB3 (0.39) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7688930 0.91 ADRB3 (0.39) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7689702 0.90 ADRB3 (0.38) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL7689699 0.90 ADRB3 (0.38) ADRB3ADRB1METADRB2ADRA1D
SCHEMBL6478089 0.90 SLC2A1 (0.39) ADRB3ADRB1ADRB2ADRA1DADRA1A

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