SCHEMBL5884232

SCHEMBL5884232

CCON=Cc1cccc(OCC2CCCN(c3ccc(C(F)(F)F)nn3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.38
TLR4 O00206 2/20 0.35
TLR2 O60603 2/20 0.35
TTR P02766 3/20 0.34
RBP4 P02753 2/20 0.34
DGAT1 O75907 2/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL5884768 0.93 FFAR1 (0.39) FFAR1TLR4TLR2TTRRBP4
SCHEMBL5884870 0.92 FFAR1 (0.36) FFAR1TLR4TLR2TTRRBP4
SCHEMBL5884946 0.91 MEN1 (0.33) FFAR1TLR4TLR2DGAT1DRD2
SCHEMBL5884636 0.90 DRD4 (0.34) FFAR1TTRRBP4DRD2DRD4
SCHEMBL5884889 0.87 NPC1 (0.37) TLR4TLR2DRD2DRD4MAP4K4
SCHEMBL5884436 0.85 FFAR1 (0.33) FFAR1DRD2DRD3MAP4K4
SCHEMBL5884909 0.83 GAA (0.31) FFAR1
SCHEMBL5884443 0.82 MAP4K4 (0.36) FFAR1TTRRBP4DRD2DRD4
SCHEMBL5884929 0.82 DRD4 (0.33) TTRRBP4DRD2DRD4PTGS1
SCHEMBL5884590 0.81 KCNH2 (0.35) MAP4K4PTPN11

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