SCHEMBL10658719

SCHEMBL10658719

COC(=O)c1ccc(CCC(C)NCC(O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.69
▸ ADRB1 P08588 9/20 0.69
▸ ADRA1A P35348 7/20 0.58
▸ ADRA1D P25100 6/20 0.58
▸ ADRA1B P35368 6/20 0.58
▸ ADRB3 P13945 5/20 0.58
▸ HTR1A P08908 2/20 0.56
▸ SLC6A2 P23975 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ CYP2D6 P10635 2/20 0.55
▸ ADRA2A P08913 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55

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
SCHEMBL11142453 0.94 ADRB2 (0.64) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10662466 0.91 ADRB2 (0.58) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL10658025 0.91 ADRB2 (0.59) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL9664001 0.89 ADRB2 (0.63) ADRB2ADRB1ADRA1AADRB3SLC6A4
SCHEMBL10661718 0.89 ADRB2 (0.63) ADRB2ADRB1ADRA1AADRB3SLC6A4
SCHEMBL10662533 0.89 ADRB2 (0.63) ADRB2ADRB1ADRA1AADRB3SLC6A4
SCHEMBL11139901 0.85 ADRB2 (0.61) ADRB2ADRB1ADRB3CYP2D6KDM4E
SCHEMBL9811975 0.84 ADRB2 (0.80) ADRB2ADRB1ADRA1AADRA1DADRB3
SCHEMBL9811981 0.84 ADRB2 (0.80) ADRB2ADRB1ADRA1AADRA1DADRB3
SCHEMBL11480459 0.83 ADRB2 (0.78) 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 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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