SCHEMBL5884577

SCHEMBL5884577

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
LTA4H P09960 1/20 0.38
BACE1 P56817 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL5884418 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1
SCHEMBL5884466 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1
SCHEMBL5883939 0.89 SMN1; SMN2 (0.45) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1
SCHEMBL5884089 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1
SCHEMBL5883875 0.88 DRD3 (0.42) SLC6A2SLC6A4SMN1; SMN2LMNAHTT
SCHEMBL5884013 0.87 KMT2A (0.47) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1
SCHEMBL5884326 0.85 NPC1 (0.38) SMN1; SMN2MAPK1NPC1POLBRAB9A
SCHEMBL5884729 0.85 NPC1 (0.37) SMN1; SMN2MAPK1KDM4ENPC1POLB
SCHEMBL5884626 0.80 KMT2A (0.44) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1
SCHEMBL5884880 0.79 SMN1; SMN2 (0.42) SLC6A2SLC6A4SMN1; SMN2LMNAMAPK1

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