SCHEMBL9812002

SCHEMBL9812002

CCNC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.55
ADRB2 P07550 7/20 0.55
ADRB1 P08588 6/20 0.55
CYP2D6 P10635 2/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.51
HIF1A Q16665 1/20 0.51
GPR34 Q9UPC5 3/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL9812017 0.87 ADRB2 (0.67) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9812023 0.87 ADRB2 (0.67) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9812004 0.87 ADRB2 (0.67) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9812090 0.86 ADRB2 (0.60) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL7153650 0.85 ADRB2 (0.62) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL7153653 0.85 ADRB2 (0.62) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9631236 0.83 LTA4H (0.55) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL9631224 0.83 LTA4H (0.55) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL11245796 0.82 ADRB3 (0.65) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL10478199 0.81 ADRB3 (0.78) ADRB3ADRB2ADRB1CYP2D6ADRA1D

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
EP-0170121-B1 2-HYDROXY-3-ARYLOXYPROPYL OR 2-HYDROXY-2-BENZOFURANYL ETHYL TERTIARY AMINE HAVING AN ANTI-HYPERGLYCAEMIC AND/OR ANTI-OBESITY ACTIVITY BEECHAM GROUP PLC (GB) 1991-06-19 EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed