SCHEMBL8418267

SCHEMBL8418267

Brc1ccccc1C1[C]=CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
HTR2C P28335 6/20 0.36
HTR2B P41595 6/20 0.36
HTR2A P28223 5/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
RCOR1 Q9UKL0 1/20 0.33
BRD4 O60885 1/20 0.33
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.30

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
SCHEMBL3634708 0.79 PRCP (0.38) HTR2CHTR2BHTR2AHRH3SLC6A2
SCHEMBL4019122 0.77 KDM1A (0.42) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL874497 0.75 HTR2A (0.34) HTR2CHTR2A
SCHEMBL455932 0.75 HTR2A (0.34) KDM1AHTR2CHTR2A
SCHEMBL3669240 0.74 KDM4E (0.30) GAA
SCHEMBL3389204 0.72 HTR2A (0.35) KDM1AHTR2CHTR2A
SCHEMBL11116079 0.72 TSHR (0.34) HTR2CHTR2BHTR2AHRH3GAA
SCHEMBL4307808 0.71 HTR2A (0.34) HTR2CHTR2A
SCHEMBL4290508 0.71 HTR2A (0.35) HTR2CHTR2BHTR2A
SCHEMBL458123 0.71 HTR2A (0.34) HTR2CHTR2A

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-0941231-A1 HETEROARYLIC-ARYLIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI S.p.A. (IT) 1999-09-15 EP disclosed
WO-1998022484-A1 HETEROARYLIC-ARYLIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI S.P.A. (IT) 1998-05-28 WO disclosed