SCHEMBL7687570

SCHEMBL7687570

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.36
ADRB1 P08588 6/20 0.36
ADRB2 P07550 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
F2 P00734 1/20 0.35
GLA P06280 1/20 0.34
SLC2A1 P11166 1/20 0.34
APP P05067 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7687573 1.00 ADRB3 (0.36) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7692428 0.94 ADRB3 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7688930 0.92 ADRB3 (0.39) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7688932 0.92 ADRB3 (0.39) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7688880 0.91 KDR (0.39) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7688878 0.91 KDR (0.39) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7691993 0.90 ADRB3 (0.38) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7691997 0.90 ADRB3 (0.38) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7693306 0.89 KDR (0.42) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7693305 0.89 KDR (0.42) 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