SCHEMBL5748857

SCHEMBL5748857

O=c1c2ccccc2oc2cccc(SOCCCN3CCC3)c12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.55
MAOB P27338 9/20 0.50
HRH3 Q9Y5N1 9/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 0.98 XDH (0.58) XDHMAOBHRH3BCHEACHE
SCHEMBL5747754 0.97 XDH (0.59) XDHMAOBHRH3BCHEACHE
SCHEMBL5747833 0.91 XDH (0.52) XDHMAOBHRH3BCHEACHE
SCHEMBL5747130 0.90 XDH (0.53) XDHMAOBHRH3BCHEACHE
SCHEMBL5747685 0.81 MAOA (0.45) XDHNPC1MEN1KMT2A
SCHEMBL28675845 0.79 XDH (0.66) XDHMAOBHRH3BCHEACHE
SCHEMBL5747968 0.78 MAOA (0.45) XDHACHENPC1MEN1KMT2A
SCHEMBL5749171 0.76 XDH (0.57) XDHBCHEACHE
SCHEMBL5747519 0.76 MAOA (0.43) XDHNPC1MEN1KMT2A
SCHEMBL5750263 0.76 TOP2A (0.43) XDHNPC1MEN1KMT2A

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 4 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 claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO claimed
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