SCHEMBL10933750

SCHEMBL10933750

CC(CCc1ccc(OCCO)cc1)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 14/20 0.80
▸ ADRB2 P07550 11/20 0.80
▸ ADRB1 P08588 8/20 0.80
▸ SLC2A1 P11166 4/20 0.69
▸ 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
▸ GLA P06280 1/20 0.60
▸ CYP3A4 P08684 1/20 0.59
▸ HIF1A Q16665 1/20 0.59

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
SCHEMBL7153660 0.89 ADRB3 (1.00) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL7153657 0.89 ADRB3 (1.00) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL10934792 0.89 ADRB3 (1.00) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL9417734 0.88 ADRB3 (0.98) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL11168722 0.85 SLC2A1 (0.72) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL8402065 0.85 ADRB3 (0.70) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL10840645 0.84 SLC2A1 (0.70) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL10890383 0.84 SLC2A1 (0.70) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL8402465 0.84 ADRB3 (0.69) ADRB3ADRB2ADRB1SLC2A1CYP2D6
SCHEMBL10772841 0.84 SLC2A1 (0.92) ADRB3ADRB2ADRB1SLC2A1CYP2D6

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-0052963-B1 SECONDARY AMINES BEECHAM GROUP PLC (GB) 1985-02-20 — — EP claimed
US-4382958-A Secondary amines and compositions for treatment of hypoglycaemia or obesity BEECHAM GROUP LIMITED (GB) 1983-05-10 — — US claimed
EP-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 — — EP claimed
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
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