SCHEMBL10933710

SCHEMBL10933710

COC(=O)CCCOc1ccc(CC(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.60
ADRB3 P13945 11/20 0.60
ADRB1 P08588 6/20 0.60
GLA P06280 1/20 0.60
SLC2A1 P11166 3/20 0.58
CYP2D6 P10635 2/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CYP3A4 P08684 1/20 0.52
HIF1A Q16665 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
SCHEMBL9799386 0.90 ADRB2 (0.74) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL11086272 0.88 ADRB3 (0.55) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL10936822 0.88 ADRB2 (0.67) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL11161221 0.87 SLC2A1 (0.67) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL10983241 0.87 SLC2A1 (0.64) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL11035314 0.87 ADRB2 (0.62) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL11154189 0.87 ADRB3 (0.74) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL10938077 0.86 SLC2A1 (0.69) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL11152038 0.86 SLC2A1 (0.69) ADRB2ADRB3ADRB1GLASLC2A1
SCHEMBL10980650 0.86 SLC2A1 (0.66) ADRB2ADRB3ADRB1GLASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052963-B1 SECONDARY AMINES BEECHAM GROUP PLC (GB) 1985-02-20 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-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed