SCHEMBL6005314

SCHEMBL6005314

Cc1ccc(Oc2ccnc3ccc(OCCCN4CCN(c5ccccn5)CC4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
DRD3 P35462 3/20 0.48
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
HTR7 P34969 2/20 0.48
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
ADRA2C P18825 1/20 0.48
DRD5 P21918 1/20 0.48
HRH1 P35367 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
MAOB P27338 1/20 0.48
DRD4 P21917 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL6004825 0.83 SLC6A2 (0.52) HRH3HTR1ASLC6A2SLC6A4MAOB
SCHEMBL6002950 0.82 MET (0.44)
SCHEMBL6004262 0.81 ALDH1A1 (0.36) HTR1A
SCHEMBL6005251 0.80 PDE2A (0.39)
SCHEMBL6004922 0.79 SLC22A12 (0.39)
SCHEMBL6004162 0.79 ALDH1A1 (0.36)
SCHEMBL6004285 0.76 CYP3A4 (0.46)
SCHEMBL6004333 0.75 PDGFRA (0.42)
SCHEMBL6005366 0.75 PDGFRB (0.36)
SCHEMBL6004251 0.75 TGFBR1 (0.39)

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