SCHEMBL5884089

SCHEMBL5884089

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD4 P21917 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33

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 0.92 SLC6A2 (0.41) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884042 0.89 LMNA (0.42) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884466 0.89 SLC6A2 (0.41) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884891 0.89 DRD2 (0.39) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884577 0.88 SLC6A2 (0.43) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884173 0.87 KMT2A (0.43) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884713 0.87 TEAD1 (0.36) KMT2AMEN1SMN1; SMN2MAPK1NPC1
SCHEMBL5884901 0.86 GLS (0.33) SMN1; SMN2MAPK1NPC1POLBRAB9A
SCHEMBL5884626 0.82 KMT2A (0.44) SLC6A2SLC6A4DRD4KMT2AMEN1
SCHEMBL5884627 0.81 L3MBTL1 (0.33) SMN1; SMN2MAPK1ALDH1A1NPC1POLB

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