SCHEMBL5318564

SCHEMBL5318564

CC(N)C(OOC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
TAAR1 Q96RJ0 3/20 0.35
RIPK1 Q13546 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AOC3 Q16853 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3099790 0.85 RIPK1 (0.37) ADRA2AADRA2CALDH1A1TAAR1RIPK1
SCHEMBL7654223 0.76 RIPK1 (0.39) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL3627338 0.74 THRB (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL16888402 0.74 THRB (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL9870121 0.74 ADRA2A (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12262583 0.74 THRB (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL11659192 0.74 TSHR (0.39) ALDH1A1DPP4F2RIPK1TSHR
SCHEMBL11237759 0.74 TSHR (0.39) ADRA2ALMNAKDM4EALDH1A1RIPK1
SCHEMBL18257694 0.74 THRB (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL11000837 0.74 RIPK1 (0.39) LMNAKDM4EALDH1A1RIPK1TSHR

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
WO-2007077140-A1 HYDROXY-NOREPHEDRINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
WO-2007077140-A1 HYDROXY-NOREPHEDRINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed