SCHEMBL5884891

SCHEMBL5884891

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
LTA4H P09960 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 8/20 0.35
KCNH2 Q12809 2/20 0.34
MEN1 O00255 1/20 0.34
NR2F2 P24468 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.91 KCNH2 (0.41) DRD2DRD1DRD5DRD3SLC6A2
SCHEMBL5884089 0.89 SLC6A2 (0.40) DRD2DRD4SLC6A2SLC6A4LTA4H
SCHEMBL5883893 0.89 AXL (0.41) DRD2DRD1DRD5DRD3DRD4
SCHEMBL5884658 0.88 DRD2 (0.40) DRD2DRD1DRD5DRD3DRD4
SCHEMBL5883875 0.87 DRD3 (0.42) DRD2DRD1DRD5DRD3SLC6A2
SCHEMBL5884775 0.86 DRD2 (0.39) DRD2DRD1DRD5DRD3DRD4
SCHEMBL5884831 0.86 TEAD1 (0.36) MAPTHPGDRAB9AKCNH2L3MBTL1
SCHEMBL5884514 0.85 NR1I2 (0.35) DRD2DRD1DRD5DRD3MAPT
SCHEMBL5884681 0.85 DRD4 (0.43) DRD2DRD1DRD5DRD3DRD4
SCHEMBL5885004 0.80 HTR4 (0.42) DRD2DRD1DRD5DRD3SLC6A2

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