SCHEMBL5884901

SCHEMBL5884901

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAOB P27338 3/20 0.33
DGAT1 O75907 2/20 0.33
MAOA P21397 2/20 0.33
MAPK1 P28482 1/20 0.32
FURIN P09958 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ROCK1 Q13464 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
SCHEMBL5884713 0.96 TEAD1 (0.36) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5883890 0.92 DGAT1 (0.35) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884627 0.91 L3MBTL1 (0.33) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884872 0.91 SMN1; SMN2 (0.34) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884514 0.89 NR1I2 (0.35) MAOBMAOATEAD1TEAD3
SCHEMBL5884729 0.88 NPC1 (0.37) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884914 0.88 NPY1R (0.38) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884592 0.88 NPC1 (0.35) GLSNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5884089 0.86 SLC6A2 (0.40) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL5884831 0.85 TEAD1 (0.36) NPC1RAB9ATEAD1TEAD3

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