SCHEMBL9813872

SCHEMBL9813872

C[C@H](Cc1ccc(O)cc1)N(C[C@H](O)c1cccc(Cl)c1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.50
ADRB3 P13945 13/20 0.45
ADRB2 P07550 11/20 0.45
ADRB1 P08588 10/20 0.45
CYP2D6 P10635 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL9813875 1.00 SLC2A1 (0.50) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813944 1.00 SLC2A1 (0.50) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813982 1.00 SLC2A1 (0.50) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813952 1.00 SLC2A1 (0.50) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813900 1.00 SLC2A1 (0.50) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813948 0.96 SLC2A1 (0.47) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813937 0.96 SLC2A1 (0.47) SLC2A1ADRB3ADRB2ADRB1CYP2D6
SCHEMBL9813945 0.85 TAAR1 (0.40) ADRB3ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL9813912 0.85 MAOB (0.42) ADRB3ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL9813921 0.85 MAOB (0.42) ADRB3ADRB2ADRB1CYP2D6ADRA1A

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
US-5017619-A Anitdiabetic HOFFMANN-LA ROCHE INC. (US) 1991-05-21 US disclosed