SCHEMBL19969307

SCHEMBL19969307

Cn1c(=O)c2c(nc(CCCCCCBr)n2C)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.51
MAOB P27338 7/20 0.50
MAOA P21397 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL26439807 1.00 RXFP1 (0.51) RXFP1MAOBMAOAKMT2AMEN1
SCHEMBL10825997 0.94 RXFP1 (0.54) RXFP1MAOBMAOAKMT2AMEN1
SCHEMBL19969451 0.92 RXFP1 (0.57) RXFP1MAOBMAOAKMT2ACYP2C19
SCHEMBL19969448 0.91 RXFP1 (0.59) RXFP1MAOBMAOAKMT2ACYP2C19
SCHEMBL25155042 0.85 RXFP1 (0.51) RXFP1MAOBMAOAKMT2ACYP2C19
SCHEMBL26439802 0.85 RXFP1 (0.51) RXFP1MAOBMAOAKMT2ACYP2C19
SCHEMBL19969447 0.84 RXFP1 (0.62) RXFP1MAOBMAOAKMT2ACYP2C19
SCHEMBL15071609 0.83 CYP1A2 (0.56) RXFP1MAOBMAOAKMT2AMEN1
SCHEMBL19969387 0.83 RXFP1 (0.52) RXFP1MAOBMAOAKMT2ACYP2C19
SCHEMBL28064034 0.80 CYP1A2 (0.57) RXFP1MAOBMAOAKMT2ACYP2C19

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
WO-2018045464-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2018-03-15 WO disclosed