SCHEMBL6004825

SCHEMBL6004825

Cc1ccc(Oc2ccnc3ccc(OCCCN4CCC(Cc5ccccc5)CC4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MAOB P27338 8/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CYP2D6 P10635 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
DRD4 P21917 1/20 0.45
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.43

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
SCHEMBL6005314 0.83 HRH3 (0.49) SLC6A2SLC6A4MAOBHTR1AHRH3
SCHEMBL6004162 0.81 ALDH1A1 (0.36)
SCHEMBL6004262 0.81 ALDH1A1 (0.36) HTR1ACYP2D6
SCHEMBL6002950 0.81 MET (0.44) ACHEMAOA
SCHEMBL6004285 0.80 CYP3A4 (0.46) MAOA
SCHEMBL6005251 0.78 PDE2A (0.39)
SCHEMBL6004932 0.77 IRAK4 (0.39) MAOBMAOA
SCHEMBL6004922 0.77 SLC22A12 (0.39) MAOA
SCHEMBL6005366 0.73 PDGFRB (0.36)
SCHEMBL6004251 0.73 TGFBR1 (0.39) CYP2D6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed