SCHEMBL5884592

SCHEMBL5884592

CCON=Cc1cccc(OCCC2CCN(c3ccc(C)nn3)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.34
DGAT1 O75907 2/20 0.34
GLS O94925 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
OPRK1 P41145 2/20 0.33
NPY1R P25929 1/20 0.33
KCNH2 Q12809 1/20 0.32
SLC2A1 P11166 1/20 0.32
TP53 P04637 1/20 0.32
SSTR2 P30874 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
SCHEMBL5883890 0.95 DGAT1 (0.35) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884713 0.92 TEAD1 (0.36) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884586 0.91 SMN1; SMN2 (0.37) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884326 0.91 NPC1 (0.38) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884689 0.89 KCNH2 (0.39) SMN1; SMN2GPR119TEAD1TEAD3OPRK1
SCHEMBL5884333 0.89 KCNH2 (0.39) SMN1; SMN2GPR119TEAD1TEAD3OPRK1
SCHEMBL5884901 0.88 GLS (0.33) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884910 0.86 SMN1; SMN2 (0.37) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5883881 0.86 L3MBTL1 (0.34) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884418 0.86 SLC6A2 (0.41) NPC1POLBRAB9ASMN1; SMN2MAPK1

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