SCHEMBL23904679

SCHEMBL23904679

C[C@H](CC(=O)O)NCCOc1ccccc1OCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.53
ADRA1D P25100 7/20 0.53
ADRA1B P35368 6/20 0.53
KDM4E B2RXH2 6/20 0.51
TDP1 Q9NUW8 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.49
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
HRH1 P35367 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
ADRB2 P07550 1/20 0.47
DRD2 P14416 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
SCHEMBL23904680 1.00 ADRA1A (0.53) ADRA1AADRA1DADRA1BKDM4ETDP1
SCHEMBL23912946 0.89 ADRA1A (0.54) ADRA1AADRA1DADRA1BKDM4ETDP1
SCHEMBL18902791 0.81 HTR1B (0.57) ADRA1AADRA1DADRA1BKDM4ETDP1
SCHEMBL23912875 0.76 LTA4H (0.48) ADRA1AADRA1DADRA1BKDM4EHTT
SCHEMBL12840659 0.75 L3MBTL1 (0.61) KDM4ETDP1HTTALDH1A1PKM
SCHEMBL23912992 0.72 LTA4H (0.53) ADRA1AADRA1DADRA1BKDM4EHTT
SCHEMBL23904672 0.71 KDM4E (0.40) ADRA1AADRA1DADRA1BKDM4ETDP1
SCHEMBL23904670 0.71 KDM4E (0.40) ADRA1AADRA1DADRA1BKDM4ETDP1
SCHEMBL23904673 0.70 KDM4E (0.38) ADRA1AADRA1DADRA1BKDM4ETDP1
SCHEMBL23904676 0.70 KDM4E (0.38) ADRA1AADRA1DADRA1BKDM4ETDP1

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-3892615-A1 PROCESS FOR THE PREPARATION OF SILODOSIN Minakem (FR) 2021-10-13 EP disclosed