SCHEMBL5884870

SCHEMBL5884870

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.36
TLR4 O00206 2/20 0.34
TLR2 O60603 2/20 0.34
DGAT1 O75907 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
TTR P02766 3/20 0.32
RBP4 P02753 2/20 0.32
BTK Q06187 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MAP4K4 O95819 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
SCHEMBL5884232 0.92 FFAR1 (0.38) FFAR1TLR4TLR2DGAT1DRD2
SCHEMBL5884909 0.92 GAA (0.31) FFAR1
SCHEMBL5884929 0.90 DRD4 (0.33) DRD2DRD4TTRRBP4BTK
SCHEMBL5884768 0.89 FFAR1 (0.39) FFAR1TLR4TLR2DGAT1DRD2
SCHEMBL5884841 0.88 CHRNB2 (0.34) TLR4TLR2DRD2DRD4BTK
SCHEMBL5884946 0.83 MEN1 (0.33) FFAR1TLR4TLR2DGAT1DRD2
SCHEMBL5884636 0.82 DRD4 (0.34) FFAR1DRD2DRD4TTRRBP4
SCHEMBL5884436 0.82 FFAR1 (0.33) FFAR1DRD2MAP4K4
SCHEMBL5884551 0.82 HRH3 (0.33)
SCHEMBL5884173 0.80 KMT2A (0.43) DRD2DRD4

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