SCHEMBL11255869

SCHEMBL11255869

CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c1ccccc1.[NaH]

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.77
ADRB1 P08588 13/20 0.77
ADRB2 P07550 12/20 0.77
CYP2D6 P10635 2/20 0.77
ADRA1D P25100 1/20 0.77
ADRA1A P35348 1/20 0.77
ADRA1B P35368 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
GLA P06280 1/20 0.62
CYP3A4 P08684 1/20 0.61
HIF1A Q16665 1/20 0.61
SLC2A1 P11166 1/20 0.54

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
SCHEMBL10478199 0.99 ADRB3 (0.78) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL11251142 0.89 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL11253857 0.89 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL11247530 0.89 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9314215 0.88 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL11245796 0.88 ADRB3 (0.65) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL11255890 0.88 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9314212 0.88 ADRB3 (0.77) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL4344462 0.88 ADRB3 (0.98) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Water SCHEMBL15421412 0.87 ADRB3 (0.96) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US claimed
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 EP disclosed