SCHEMBL6380203

SCHEMBL6380203

COc1cc(NCCCC(C)N)c2nccc(C)c2c1Oc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
MAOA P21397 14/20 0.53
MAOB P27338 14/20 0.53
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
NSD2 O96028 1/20 0.45
RAD52 P43351 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45

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
SCHEMBL11072984 0.84 GSK3B (0.81) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL6380626 0.83 MAOA (0.69) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL6425435 0.83 MAOA (0.62) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL6380199 0.83 MAOA (0.76) GSK3BMAOAMAOBNSD2KDM4E
SCHEMBL11072864 0.82 GSK3B (0.80) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL6385103 0.81 MAOA (0.58) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL6381820 0.81 MAOA (0.68) GSK3BMAOAMAOBNSD2RAD52
SCHEMBL3856314 0.80 MAOA (0.70) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL6380545 0.75 MAOA (0.65) GSK3BMAOAMAOBPRKD3PRKCG
SCHEMBL4348852 0.74 GSK3B (0.55) GSK3BMAOAMAOBPRKD3PRKCG

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

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