SCHEMBL5884768

SCHEMBL5884768

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.39
TLR4 O00206 2/20 0.36
TLR2 O60603 2/20 0.36
TTR P02766 3/20 0.35
RBP4 P02753 2/20 0.35
DGAT1 O75907 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.34
MAP4K4 O95819 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5884232 0.93 FFAR1 (0.38) FFAR1TLR4TLR2TTRRBP4
SCHEMBL5884436 0.92 FFAR1 (0.33) FFAR1DRD2DRD3MAP4K4ALDH1A1
SCHEMBL5884443 0.89 MAP4K4 (0.36) FFAR1TTRRBP4DRD2DRD4
SCHEMBL5884870 0.89 FFAR1 (0.36) FFAR1TLR4TLR2TTRRBP4
SCHEMBL5884368 0.87 NPC1 (0.38) TLR4TLR2DRD2DRD4MAP4K4
SCHEMBL5884946 0.84 MEN1 (0.33) FFAR1TLR4TLR2DGAT1DRD2
SCHEMBL5884473 0.83 FFAR1 (0.38) FFAR1DGAT1ALDH1A1LMNAPOLB
SCHEMBL5884636 0.82 DRD4 (0.34) FFAR1TTRRBP4DRD2DRD4
SCHEMBL5884176 0.81 HRH3 (0.37) MAP4K4PTGS1PTGS2ALDH1A1LMNA
SCHEMBL5884909 0.81 GAA (0.31) FFAR1GAA

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