SCHEMBL5883893

SCHEMBL5883893

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
HTR4 Q13639 1/20 0.40
DRD4 P21917 1/20 0.37
BPTF Q12830 1/20 0.37
PANK3 Q9H999 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP1A2 P05177 1/20 0.36
LTA4H P09960 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5885004 0.90 HTR4 (0.42) AXLHTR4BPTFPANK3SLC6A2
SCHEMBL5884042 0.89 LMNA (0.42) AXLHTR4DRD4BPTFSLC6A2
SCHEMBL5884891 0.89 DRD2 (0.39) DRD4SLC6A2SLC6A4LTA4HDRD2
SCHEMBL5884648 0.87 HTR4 (0.42) AXLHTR4DRD4BPTFPANK3
SCHEMBL5884836 0.86 HTR4 (0.46) AXLHTR4BPTFPANK3SLC6A2
SCHEMBL5884775 0.86 DRD2 (0.39) DRD4SLC6A2SLC6A4LTA4HDRD2
SCHEMBL5884258 0.85 LMNA (0.36) BPTFPANK3CYP1A2MAPTLMNA
SCHEMBL5884681 0.85 DRD4 (0.43) HTR4DRD4SLC6A2SLC6A4LTA4H
SCHEMBL5884712 0.84 LMNA (0.36) BPTFPANK3CYP1A2MAPTLMNA
SCHEMBL5884533 0.83 LMNA (0.38) BPTFPANK3CYP1A2LMNAHTT

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