SCHEMBL5883890

SCHEMBL5883890

CCON=Cc1cccc(OCCCC2CCN(c3ccc(C)nn3)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
OPRK1 P41145 2/20 0.34
MAPK1 P28482 1/20 0.34
GLS O94925 3/20 0.33
FURIN P09958 1/20 0.33
MAOA P21397 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 2/20 0.33
NPY1R P25929 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
SCHEMBL5884592 0.95 NPC1 (0.35) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884901 0.92 GLS (0.33) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884910 0.91 SMN1; SMN2 (0.37) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884729 0.91 NPC1 (0.37) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5883881 0.91 L3MBTL1 (0.34) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884353 0.89 KCNH2 (0.39) OPRK1KCNH2
SCHEMBL5884090 0.88 NPY1R (0.44) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884713 0.88 TEAD1 (0.36) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884586 0.86 SMN1; SMN2 (0.37) DGAT1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884326 0.86 NPC1 (0.38) DGAT1NPC1POLBRAB9ASMN1; SMN2

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