SCHEMBL5884418

SCHEMBL5884418

CCON=Cc1cccc(OCCN2CCN(c3ccc(C)nn3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL5884466 0.94 SLC6A2 (0.41) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884089 0.92 SLC6A2 (0.40) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884577 0.90 SLC6A2 (0.43) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884626 0.90 KMT2A (0.44) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884127 0.88 KCNH2 (0.41) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884607 0.87 KMT2A (0.47) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884560 0.87 SLC6A2 (0.46) SLC6A2SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL5884592 0.86 NPC1 (0.35) SMN1; SMN2MAPK1NPC1POLBRAB9A
SCHEMBL5883890 0.85 DGAT1 (0.35) SMN1; SMN2MAPK1NPC1POLBRAB9A
SCHEMBL5884880 0.83 SMN1; SMN2 (0.42) SLC6A2SLC6A4KMT2AMEN1SMN1; 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