SCHEMBL11596019

SCHEMBL11596019

CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
CYP2D6 P10635 2/20 0.47
ADRA2A P08913 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL8077438 0.91 FOLH1 (0.51) ADRB2ADRB1KDM4EALDH1A1LMNA
SCHEMBL4670569 0.89 ADRB2 (0.48) ADRB2ADRB1KDM4EALDH1A1LMNA
SCHEMBL14080487 0.89 ADRB2 (0.48) ADRB2ADRB1KDM4EALDH1A1LMNA
SCHEMBL14080472 0.89 ADRB2 (0.48) ADRB2ADRB1KDM4EALDH1A1LMNA
SCHEMBL11596670 0.86 ADRB2 (0.55) ADRB2ADRB1ADRA1DADRA1AADRA1B
Cadaverine Tartrate SCHEMBL14080565 0.85 F2 (0.46) ADRB2ADRB1KDM4EALDH1A1HPGD
SCHEMBL11596475 0.83 ADRB2 (0.50) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL6897408 0.82 FOLH1 (0.49) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL6897412 0.82 FOLH1 (0.49) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL12158808 0.81 ADRB2 (0.58) ADRB2ADRB1CYP2D6LMNACYP1A2

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
US-4101579-A Phenethanolamine ethers ALLEN & HANBURYS LIMITED (GB) 1978-07-18 US disclosed