SCHEMBL5745882

SCHEMBL5745882

CCNCCOSc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.45
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 4/20 0.39
HTR1B P28222 1/20 0.39
KDM5A P29375 1/20 0.37
GAA P10253 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
SCHEMBL5747519 0.93 MAOA (0.43) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5745699 0.92 TOP2A (0.45) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5745622 0.88 MAOA (0.47) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5750263 0.85 TOP2A (0.43) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5747968 0.83 MAOA (0.45) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5748332 0.81 XDH (0.51) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5746038 0.81 MAOA (0.47) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5749171 0.79 XDH (0.57) MAOAMAPT
SCHEMBL5747685 0.79 MAOA (0.45) MAOAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5749598 0.79 MAOA (0.58) MAOAMAPTKDM4EHSD17B10ALDH1A1

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