SCHEMBL11039896

SCHEMBL11039896

COC(=O)c1ccc(CCC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.47
ADRB1 P08588 7/20 0.47
ADRA1A P35348 6/20 0.47
ADRA1D P25100 4/20 0.47
ADRA1B P35368 4/20 0.47
CYP2D6 P10635 3/20 0.47
HTR1A P08908 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
ADRA2A P08913 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL10731488 0.90 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10731500 0.90 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10731494 0.90 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10731482 0.90 ADRB2 (0.54) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11053844 0.90 ADRB3 (0.56) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL9007073 0.90 ADRB3 (0.56) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL9007077 0.90 ADRB3 (0.56) ADRB2ADRB1ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL11040417 0.89 ADRB3 (0.55) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10728905 0.88 ADRB1 (0.42) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10730619 0.88 ADRB1 (0.42) ADRB2ADRB1ADRA1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040915-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1984-03-21 EP disclosed
US-4396627-A HYPOGLYCEMIC AGENTS, TREATMENT OF OBECITY BEECHAM GROUP LIMITED (GB) 1983-08-02 US disclosed
US-4385066-A DIETETICS, HYPERGLYCEMIC AGENTS ANTIINFLAMMATORY AGENTS BEECHAM GROUP LIMITED (GB) 1983-05-24 US disclosed
EP-0021636-B1 SECONDARY AMINES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-12-01 EP disclosed
EP-0040915-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-12-02 EP disclosed
EP-0021636-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-01-07 EP disclosed