SCHEMBL5697264

SCHEMBL5697264

CC(N)(O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.46
KDM1A O60341 6/20 0.46
S1PR5 Q9H228 1/20 0.45
ERN1 O75460 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
LIPE Q05469 1/20 0.42
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
C5AR1 P21730 1/20 0.41

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
SCHEMBL17024331 0.87 MRGPRX4 (0.55) MRGPRX4LIPEMAPTMAPK1TDP1
SCHEMBL17024333 0.85 RXRA (0.56) MRGPRX4S1PR5HTR2CSLC6A4HTR2B
SCHEMBL17200641 0.81 S1PR5 (0.44) MRGPRX4S1PR5ERN1HTR2CSLC6A4
SCHEMBL17024339 0.77 LMNA (0.58) LMNAMAPTL3MBTL1
SCHEMBL1128800 0.77 S1PR5 (0.52) MRGPRX4KDM1AS1PR5ERN1LMNA
SCHEMBL9434950 0.76 HTR2C (0.48) MRGPRX4LMNALIPEHTR2CSLC6A4
SCHEMBL11854600 0.76 HTR2C (0.51) MRGPRX4LMNALIPEHTR2CSLC6A4
SCHEMBL9631198 0.76 MEN1 (0.53) LMNAMAPTL3MBTL1
SCHEMBL224277 0.75 KDM1A (0.55) KDM1AS1PR5LMNAHTTSLC6A4
SCHEMBL30739242 0.75 KDM1A (0.55) KDM1AS1PR5LMNAHTTSLC6A4

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-1675823-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005040103-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed