SCHEMBL6186909

SCHEMBL6186909

O=c1sc2cc(Br)ccc2n1CC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
FEN1 P39748 1/20 0.38
SLC6A4 P31645 1/20 0.38
RORC P51449 1/20 0.38
FPR2 P25090 1/20 0.37
CNR2 P34972 4/20 0.35
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
BAX Q07812 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HRH1 P35367 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL7713334 0.91 SIGMAR1 (0.53) SIGMAR1RORCCNR2MAPTADRA2A
SCHEMBL6189826 0.85 PLK1 (0.41) FEN1SLC6A4RORCCNR2
SCHEMBL6190194 0.85 DRD2 (0.44) SIGMAR1FEN1SLC6A4RORCCNR2
SCHEMBL6187775 0.85 CNR2 (0.40) SIGMAR1FEN1RORCCNR2ADRA2A
SCHEMBL6191699 0.81 L3MBTL1 (0.50)
SCHEMBL6192479 0.81 SIGMAR1 (0.45) SIGMAR1FEN1RORCCNR2MAPT
SCHEMBL6189813 0.81 CDYL2 (0.47) FEN1RORC
SCHEMBL6187161 0.77 TMEM97 (0.52) SIGMAR1DRD2
SCHEMBL2593039 0.75 SIGMAR1 (0.49) SIGMAR1CNR2MAPTADRA2AADRA2B
SCHEMBL7712492 0.75 FPR2 (0.49) SIGMAR1FEN1RORCFPR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043319-B1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEM CORP (JP) 2005-03-16 EP disclosed
EP-1043319-A1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed