SCHEMBL5884560

SCHEMBL5884560

CCON=Cc1cccc(OCCN2CCN(c3cccnn3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
NPY1R P25929 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD4 P21917 2/20 0.40
DRD2 P14416 2/20 0.40
HTR4 Q13639 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
HTR1A P08908 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 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
SCHEMBL5884317 0.89 SLC6A2 (0.43) SLC6A2SLC6A4NPY1RMEN1KMT2A
SCHEMBL5884418 0.87 SLC6A2 (0.41) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884626 0.86 KMT2A (0.44) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884090 0.84 NPY1R (0.44) NPY1RSMN1; SMN2MAPK1NPC1POLB
SCHEMBL5884607 0.84 KMT2A (0.47) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884466 0.80 SLC6A2 (0.41) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884681 0.80 DRD4 (0.43) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884880 0.80 SMN1; SMN2 (0.42) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884089 0.79 SLC6A2 (0.40) SLC6A2SLC6A4MEN1KMT2ADRD4
SCHEMBL5884042 0.77 LMNA (0.42) SLC6A2SLC6A4MEN1KMT2ADRD4

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