SCHEMBL5747754

SCHEMBL5747754

O=c1c2ccccc2oc2cccc(SOCCCN3CCCCC3)c12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.59
MAOB P27338 11/20 0.54
HRH3 Q9Y5N1 11/20 0.54
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5746335 0.99 XDH (0.58) XDHMAOBHRH3BCHEACHE
SCHEMBL5748857 0.97 XDH (0.55) XDHMAOBHRH3BCHEACHE
SCHEMBL5747130 0.93 XDH (0.53) XDHMAOBHRH3BCHEACHE
SCHEMBL5747833 0.92 XDH (0.52) XDHMAOBHRH3BCHEACHE
SCHEMBL28675845 0.81 XDH (0.66) XDHMAOBHRH3BCHEACHE
SCHEMBL5747685 0.80 MAOA (0.45) XDHKDM4EALDH1A1MAPT
SCHEMBL5747968 0.77 MAOA (0.45) XDHACHEKDM4EALDH1A1MAPT
SCHEMBL5748784 0.76 XDH (0.58) XDHMAOBHRH3BCHEACHE
SCHEMBL5749171 0.76 XDH (0.57) XDHBCHEACHEMAPT
SCHEMBL5747519 0.76 MAOA (0.43) XDHKDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed