SCHEMBL23912992

SCHEMBL23912992

COC(=O)CCNCCOc1ccccc1OCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
ADRA1D P25100 4/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1B P35368 4/20 0.45
HTR1A P08908 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SLC2A1 P11166 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 2/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL23912875 0.86 LTA4H (0.48) LTA4HADRA1DADRA1AADRA1BHTR1A
SCHEMBL10030744 0.79 AR (0.51) KDM4EL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL23912946 0.79 ADRA1A (0.54) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL18902791 0.75 HTR1B (0.57) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL8088577 0.73 L3MBTL1 (0.44) L3MBTL1SLC2A1LMNAHTTSMN1; SMN2
SCHEMBL23904679 0.72 ADRA1A (0.53) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL23904680 0.72 ADRA1A (0.53) ADRA1DADRA1AADRA1BHTR1AKDM4E
SCHEMBL28288419 0.71 MAPT (0.52) KDM4EL3MBTL1SLC2A1LMNAHTT
SCHEMBL4543381 0.71 SLC2A1 (0.50) ADRA1DADRA1AADRA1BSLC2A1LMNA
SCHEMBL10348407 0.70 CACNA1B (0.44) LTA4HKDM4EMTNR1BLMNAHTT

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