SCHEMBL4281745

SCHEMBL4281745

O=C(OCc1ccccc1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP2C19 P33261 1/20 0.61
ACHE P22303 1/20 0.55
MAPT P10636 1/20 0.53
GRIN2B Q13224 3/20 0.52
HTT P42858 1/20 0.52
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
AOC3 Q16853 2/20 0.52
HTR1A P08908 2/20 0.52
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
ADRA2C P18825 1/20 0.52
CHRM2 P08172 1/20 0.52

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
SCHEMBL30929221 0.93 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL521198 0.90 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25841674 0.88 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14529024 0.88 SMN1; SMN2 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL24183442 0.87 SMN1; SMN2 (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1337663 0.86 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14095609 0.86 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30738370 0.86 SMN1; SMN2 (0.65) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13661299 0.86 SMN1; SMN2 (0.65) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13431982 0.85 SMN1; SMN2 (0.64) 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