SCHEMBL6442964

SCHEMBL6442964

COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nc(C)ccc2c1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.50
MAOB P27338 12/20 0.50
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PABPC1 P11940 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 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
SCHEMBL5493085 0.84 MAOA (0.72) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL11545426 0.81 KDM4E (0.59) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL5498198 0.79 MAOA (0.43) MAOAMAOBHTR1AERBB2EPHA2
SCHEMBL4726096 0.79 HSP90AA1 (0.47) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL5498197 0.78 MAOA (0.44) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL6442958 0.78 MAOA (0.44) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL5080488 0.78 HSP90AA1 (0.46) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL14534512 0.78 MAOA (0.60) MAOAMAOBMAPTKDM4ENSD2
SCHEMBL5083204 0.75 HSP90AA1 (0.38) MAOBMAPTKDM4ENSD2HSP90AA1
Hydrochloric Acid SCHEMBL11065248 0.74 MAOA (0.62) MAOAMAOBMAPTKDM4ENSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907363-A4 8-AMINOQUINOLINES UNIV MISSISSIPPI (US) 2005-04-06 EP disclosed
EP-0907363-A1 8-AMINOQUINOLINES THE UNIVERSITY OF MISSISSIPPI (US) 1999-04-14 EP disclosed
WO-1997036590-A1 8-AMINOQUINOLINES THE UNIVERSITY OF MISSISSIPPI (US) 1997-10-09 WO disclosed