SCHEMBL11273021

SCHEMBL11273021

COC(=O)Cc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 15/20 0.77
▸ ADRB2 P07550 12/20 0.77
▸ ADRB1 P08588 11/20 0.77
▸ GLA P06280 1/20 0.77
▸ SLC2A1 P11166 3/20 0.71
▸ CYP2D6 P10635 2/20 0.69
▸ ADRA1D P25100 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ ADRA1B P35368 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ CYP3A4 P08684 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ ADRA2A P08913 1/20 0.61
▸ ADRA2B P18089 1/20 0.61
▸ ADRA2C P18825 1/20 0.61

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
SCHEMBL11272974 0.89 SLC2A1 (0.76) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL9272067 0.88 ADRB2 (0.81) ADRB3ADRB2ADRB1GLA
SCHEMBL9671238 0.88 ADRB3 (0.78) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL11183468 0.88 ADRB3 (0.78) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL7150308 0.88 ADRB3 (0.78) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL7150315 0.88 ADRB3 (0.78) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL9006835 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL4611391 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL5144151 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1GLASLC2A1
SCHEMBL5144153 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1GLASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063004-A1 Secondary amines, processes for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1982-10-20 — — EP claimed
EP-0063004-A1 Secondary amines, processes for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1982-10-20 — — EP disclosed
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