SCHEMBL5884436

SCHEMBL5884436

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAP4K4 O95819 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 4/20 0.31
CTSS P25774 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5884946 0.92 MEN1 (0.33) FFAR1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5884768 0.92 FFAR1 (0.39) FFAR1POLBSMN1; SMN2ALDH1A1DRD2
SCHEMBL5884473 0.91 FFAR1 (0.38) FFAR1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5884176 0.90 HRH3 (0.37) ALDH1A1MAP4K4LMNAMAPTKMT2A
SCHEMBL5884909 0.89 GAA (0.31) FFAR1GAA
SCHEMBL5884308 0.88 ALDH1A1 (0.37) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5884232 0.85 FFAR1 (0.38) FFAR1DRD2DRD3MAP4K4
SCHEMBL5884590 0.82 KCNH2 (0.35) MAP4K4MAPTKMT2AHRH3IDH1
SCHEMBL5884870 0.82 FFAR1 (0.36) FFAR1DRD2MAP4K4
SCHEMBL5884443 0.81 MAP4K4 (0.36) FFAR1ALDH1A1DRD2MAP4K4LMNA

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