SCHEMBL5884946

SCHEMBL5884946

CCON=Cc1cccc(OCCCC2CCCN(c3ccc(C(F)(F)F)nn3)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PTPN11 Q06124 1/20 0.31
BRS3 P32247 1/20 0.30
POLB P06746 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IDH1 O75874 1/20 0.30
SSTR2 P30874 1/20 0.30
SLC6A9 P48067 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
TLR4 O00206 1/20 0.30
TLR2 O60603 1/20 0.30
DGAT1 O75907 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL5884909 0.92 GAA (0.31) FFAR1
SCHEMBL5884436 0.92 FFAR1 (0.33) MEN1KMT2AFFAR1DRD2DRD3
SCHEMBL5884232 0.91 FFAR1 (0.38) FFAR1DRD2DRD3PTPN11TLR4
SCHEMBL5884590 0.90 KCNH2 (0.35) KMT2APTPN11IDH1SLC6A9
SCHEMBL5883881 0.89 L3MBTL1 (0.34) POLBNPC1RAB9ASMN1; SMN2SSTR2
SCHEMBL5884768 0.84 FFAR1 (0.39) FFAR1DRD2DRD3POLBSMN1; SMN2
SCHEMBL5884870 0.83 FFAR1 (0.36) FFAR1DRD2TLR4TLR2DGAT1
SCHEMBL5884473 0.83 FFAR1 (0.38) MEN1KMT2AFFAR1POLBNPC1
SCHEMBL5884551 0.83 HRH3 (0.33) IDH1
SCHEMBL5884176 0.82 HRH3 (0.37) KMT2AIDH1SLC6A9PTGS1PTGS2

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed