SCHEMBL11465017

SCHEMBL11465017

COC(=O)c1ccc(CC[C@@H](C)NCC(O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.60
ADRB3 P13945 9/20 0.59
ADRB1 P08588 6/20 0.59
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 3/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
CYP2D6 P10635 2/20 0.55
ADRA2A P08913 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
HTR1A P08908 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 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
SCHEMBL10563341 1.00 ADRB2 (0.60) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL10563338 1.00 ADRB2 (0.60) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL11465016 1.00 ADRB2 (0.60) ADRB2ADRB3ADRB1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10565533 0.99 ADRB2 (0.59) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL11359611 0.90 ADRB3 (0.58) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL11359598 0.90 ADRB3 (0.58) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL10657631 0.90 ADRB1 (0.73) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL10563514 0.89 ADRB2 (0.56) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL10563518 0.89 ADRB2 (0.56) ADRB2ADRB3ADRB1KDM4EALDH1A1
SCHEMBL11480459 0.89 ADRB2 (0.78) ADRB2ADRB3ADRB1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed