SCHEMBL8258779

SCHEMBL8258779

CCCC1=C(C(=O)OCC)C(c2ccc(F)cc2I)C(C)=C(CCc2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.42
CACNA1D Q01668 1/20 0.41
HTT P42858 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8260532 0.83 PLA2G2A (0.39) ADORA3PKML3MBTL1LMNAALDH1A1
SCHEMBL13587794 0.81 NR3C2 (0.49) NR3C2HTTGAANPSR1MAPT
SCHEMBL13587734 0.76 NR3C2 (0.46) NR3C2
SCHEMBL8261070 0.69 NR3C2 (0.57) NR3C2
SCHEMBL8258774 0.69 ADORA2B (0.44) NR3C2CACNA1DHTTADORA3GAA
SCHEMBL8261135 0.69 NPC1 (0.39) CACNA1DGAAL3MBTL1LMNAALDH1A1
SCHEMBL8260834 0.67 NR3C2 (0.58) NR3C2
SCHEMBL8258517 0.67
SCHEMBL13587787 0.67 NR3C2 (0.44) NR3C2MAPTALDH1A1SMN1; SMN2
SCHEMBL8261162 0.67 L3MBTL1 (0.40) NR3C2CACNA1DGAAMAPTL3MBTL1

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-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO disclosed