SCHEMBL5883875

SCHEMBL5883875

CON=Cc1ccc(OCCN2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
LTA4H P09960 4/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
MAP4K4 O95819 1/20 0.37
PSMB1 P20618 3/20 0.37
PSMB5 P28074 3/20 0.37
PSMB2 P49721 2/20 0.37
MEN1 O00255 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
SCHEMBL5884127 0.90 KCNH2 (0.41) DRD3DRD2DRD1DRD5LTA4H
SCHEMBL5884658 0.89 DRD2 (0.40) DRD3DRD2DRD1DRD5LTA4H
SCHEMBL5884836 0.88 HTR4 (0.46) DRD3DRD2DRD1DRD5LTA4H
SCHEMBL5884577 0.88 SLC6A2 (0.43) DRD3DRD2LTA4HSLC6A2SLC6A4
SCHEMBL5884891 0.87 DRD2 (0.39) DRD3DRD2DRD1DRD5LTA4H
SCHEMBL5884502 0.86 DRD2 (0.41) DRD3DRD2DRD1DRD5LTA4H
SCHEMBL5884362 0.84 NR1I2 (0.38) MAPTHPGDGAA
SCHEMBL5884356 0.83 HRH3 (0.38) DRD3DRD2DRD1DRD5KDM4E
SCHEMBL5885004 0.78 HTR4 (0.42) DRD3DRD2DRD1DRD5LTA4H
SCHEMBL5884418 0.78 SLC6A2 (0.41) DRD2LTA4HSLC6A2SLC6A4KDM4E

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