SCHEMBL5884729

SCHEMBL5884729

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
DGAT1 O75907 2/20 0.34
FURIN P09958 1/20 0.34
GLS O94925 7/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL5884326 0.95 NPC1 (0.38) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5883890 0.91 DGAT1 (0.35) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884646 0.91 SMN1; SMN2 (0.40) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884308 0.90 ALDH1A1 (0.37) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884473 0.89 FFAR1 (0.38) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884901 0.88 GLS (0.33) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884356 0.88 HRH3 (0.38) KDM4EL3MBTL1ACHE
SCHEMBL5883966 0.88 NPY1R (0.41) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884592 0.86 NPC1 (0.35) NPC1POLBRAB9ASMN1; SMN2MAPK1
SCHEMBL5884751 0.86 SMN1; SMN2 (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