SCHEMBL10659742

SCHEMBL10659742

COC(=O)c1ccc(CC(C)NCC(O)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.66
▸ ADRB1 P08588 8/20 0.60
▸ ADRB3 P13945 7/20 0.60
▸ DRD2 P14416 2/20 0.60
▸ PGR P06401 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ SLC6A3 Q01959 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ GLA P06280 1/20 0.51

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
SCHEMBL7153093 0.91 ADRB2 (0.78) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL7153097 0.91 ADRB2 (0.78) ADRB2ADRB1ADRB3DRD2PGR
SCHEMBL10657725 0.88 ADRB3 (0.59) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL7153666 0.87 ADRB3 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL10508374 0.87 ADRB3 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL11172401 0.87 ADRB3 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL11174788 0.87 ADRB3 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL9006725 0.87 ADRB3 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL7153662 0.87 ADRB3 (0.77) ADRB2ADRB1ADRB3ADRA1ACYP1A2
SCHEMBL7153455 0.84 ADRB2 (0.72) ADRB2ADRB1ADRB3DRD2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 — — US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 — — US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 — — US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 — — EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 — — EP disclosed
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