SCHEMBL4416797

SCHEMBL4416797

O=C(OCc1ccccc1)N1CCC2(CC1)OCC(CCl)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
KDM1A O60341 2/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR1A P08908 3/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
GRIN2B Q13224 2/20 0.42
HTT P42858 1/20 0.42
ENPP2 Q13822 2/20 0.42
ATXN2 Q99700 2/20 0.42

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
SCHEMBL4425738 0.85 TMEM97 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2081641 0.80 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2080127 0.77 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL541133 0.76 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19692815 0.75 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29608913 0.75 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28737735 0.75 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL908529 0.75 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL17572223 0.74 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12877995 0.74 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed