SCHEMBL4282417

SCHEMBL4282417

c1ccc(C[N+]2(C3CCCNC3)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.37
KMT2A Q03164 2/20 0.36
GBA1 P04062 1/20 0.36
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
POLB P06746 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
SCHEMBL15722779 0.90 GBA1 (0.37) EEDKMT2AGBA1MEN1CHRNB2
SCHEMBL7192200 0.82 MEN1 (0.41) KMT2AMEN1CHRNB2CHRNA4POLB
SCHEMBL8965756 0.82 MEN1 (0.41) KMT2AMEN1CHRNB2CHRNA4POLB
SCHEMBL253686 0.72 POLB (0.44) KMT2AGBA1MEN1SLC6A2SLC6A4
SCHEMBL14986054 0.71 MEN1 (0.49) KMT2AGBA1MEN1CHRNB2CHRNA4
SCHEMBL15749661 0.68 SLC6A2 (0.38) KMT2AGBA1MEN1SLC6A2SLC6A4
SCHEMBL2884183 0.68 MEN1 (0.39) KMT2AMEN1CHRNB2CHRNA4
SCHEMBL8056836 0.67 HTT (0.42) CHRNB2CHRNA4POLB
SCHEMBL8965651 0.67 HTT (0.42) CHRNB2CHRNA4POLB
Bromide SCHEMBL15709541 0.67 SLC6A2 (0.37) KMT2AGBA1MEN1SLC6A2SLC6A4

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