SCHEMBL6300969

SCHEMBL6300969

CCOC(=O)c1ccc(N2CCC(NCCC(O)Oc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.44
ADRB2 P07550 5/20 0.43
ADRB1 P08588 4/20 0.43
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
CLK2 P49760 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2D Q13557 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIM3 Q86V86 1/20 0.37
AURKB Q96GD4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
VCP P55072 3/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6301068 0.87 ADRB3 (0.45) ADRB3ADRB2ADRB1VCPGAA
SCHEMBL6074794 0.85 ADRB3 (0.60) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6309219 0.83 ADRB1 (0.39) ADRB3ADRB2ADRB1VCPSMN1; SMN2
SCHEMBL6308617 0.79 MAPT (0.40) ADRB3ADRB2ADRB1VCPNPC1
SCHEMBL6301062 0.75 ADRB3 (0.55) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6301103 0.75 ADRB3 (0.55) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6301064 0.74 HRH3 (0.55)
SCHEMBL6301065 0.74 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074461 0.70 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6797304 0.70 ADRB3 (0.67) ADRB3ADRB2ADRB1MEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858629-B1 Heteroaryloxy propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-02-22 US disclosed
EP-1214313-B1 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-06-30 EP disclosed