SCHEMBL7964117

SCHEMBL7964117

COC(=O)c1ccncc1-c1cccc(NCCCN(C[C@@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.46
ADRB3 P13945 11/20 0.46
ADRB2 P07550 9/20 0.37
KDR P35968 5/20 0.32
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32
RAET1L Q5VY80 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
EGFR P00533 2/20 0.31
FGFR2 P21802 2/20 0.31
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
CDK1 P06493 2/20 0.31
INSR P06213 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL6433084 0.87 ADRB1 (0.42) ADRB1ADRB3ADRB2
SCHEMBL6436894 0.87 ADRB1 (0.44) ADRB1ADRB3ADRB2KDREGFR
SCHEMBL5949915 0.87 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL5950125 0.87 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7964112 0.86 ADRB1 (0.44) ADRB1ADRB3ADRB2KLRK1MICA
SCHEMBL7964109 0.86 ADRB1 (0.44) ADRB1ADRB3ADRB2KLRK1MICA
SCHEMBL7975458 0.85 ADRB2 (0.44) ADRB1ADRB3ADRB2
SCHEMBL6435843 0.85 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6436830 0.84 ADRB1 (0.42) ADRB1ADRB3ADRB2
SCHEMBL6435848 0.84 ADRB1 (0.45) ADRB1ADRB3ADRB2

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-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO disclosed