SCHEMBL9684201

SCHEMBL9684201

COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.64
ADRB1 P08588 9/20 0.64
ADRB2 P07550 5/20 0.64
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2D6 P10635 1/20 0.58
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL9812077 1.00 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684195 1.00 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9685355 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9685359 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9683322 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9683325 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9685286 0.87 ADRB1 (0.57) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684241 0.86 ADRB1 (0.65) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL7042706 0.86 ADRB1 (0.71) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684248 0.86 ADRB1 (0.65) ADRB3ADRB1ADRB2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP claimed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
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