SCHEMBL5884473

SCHEMBL5884473

CON=Cc1cccc(OCCCC2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
DGAT1 O75907 2/20 0.37
SLC2A1 P11166 1/20 0.36
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
OGA O60502 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33
FURIN P09958 1/20 0.32
LCAT P04180 4/20 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
SCHEMBL5884436 0.91 FFAR1 (0.33) FFAR1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5884348 0.89 MAPT (0.37) OGAMAPTLCATCXCR3KCNH2
SCHEMBL5884729 0.89 NPC1 (0.37) DGAT1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5884646 0.88 SMN1; SMN2 (0.40) DGAT1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5884013 0.86 KMT2A (0.47) POLBSMN1; SMN2NPC1RAB9AOGA
SCHEMBL5883966 0.85 NPY1R (0.41) FFAR1DGAT1POLBSMN1; SMN2NPC1
SCHEMBL5884326 0.84 NPC1 (0.38) DGAT1SLC2A1POLBSMN1; SMN2NPC1
SCHEMBL5884768 0.83 FFAR1 (0.39) FFAR1DGAT1POLBSMN1; SMN2ALDH1A1
SCHEMBL5884751 0.83 SMN1; SMN2 (0.41) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5884946 0.83 MEN1 (0.33) FFAR1DGAT1POLBSMN1; SMN2NPC1

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