SCHEMBL9799386

SCHEMBL9799386

COC(=O)COc1ccc(CC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.74
ADRB3 P13945 13/20 0.74
ADRB1 P08588 8/20 0.74
GLA P06280 1/20 0.74
CYP2D6 P10635 2/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 1/20 0.59
HIF1A Q16665 1/20 0.59
SLC2A1 P11166 2/20 0.53

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
SCHEMBL9631209 0.91 ADRB3 (0.74) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL10860881 0.90 ADRB2 (0.60) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL10933710 0.90 ADRB2 (0.60) ADRB2ADRB3ADRB1GLACYP2D6
Ethane SCHEMBL11152387 0.90 ADRB3 (0.73) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL11148041 0.90 ADRB3 (0.64) ADRB2ADRB3ADRB1GLACYP2D6
Hydrochloric Acid SCHEMBL10861322 0.90 ADRB2 (0.59) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL10898514 0.88 ADRB3 (0.61) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL10937612 0.87 ADRB3 (0.57) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL10978911 0.87 ADRB2 (0.63) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL10811089 0.86 ADRB2 (0.55) ADRB2ADRB3ADRB1GLACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085514-A2 Compositions comprising a beta-antagonist and a beta-agonist, their preparation, and their use in treating obese humans and animals BEECHAM GROUP PLC (GB) 1983-08-10 EP claimed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US claimed
EP-0170135-B1 NOVEL MORPHOLINES BEECHAM GROUP PLC (GB) 1991-03-20 EP disclosed
US-4803293-A Tertiary amines BEECHAM GROUP PLC (GB) 1989-02-07 US disclosed
EP-0142102-B1 TERTIARY AMINES BEECHAM GROUP PLC (GB) 1987-09-23 EP disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed
US-4596800-A Hypoglycaemic agents BEECHAM GROUP P.L.C. (GB) 1986-06-24 US disclosed
EP-0170135-A1 Novel Morpholines BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed
EP-0142102-A2 Tertiary amines BEECHAM GROUP PLC (GB) 1985-05-22 EP disclosed
US-4382958-A Secondary amines and compositions for treatment of hypoglycaemia or obesity BEECHAM GROUP LIMITED (GB) 1983-05-10 US disclosed
EP-0070133-A2 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed
EP-0023385-B1 ETHANAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-12-15 EP disclosed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US disclosed
EP-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 EP disclosed