SCHEMBL22561481

SCHEMBL22561481

CCC1(C)OB(c2ccc(CN3CCOCC3)nc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
CXCR4 P61073 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
CNR2 P34972 4/20 0.35
CNR1 P21554 1/20 0.34
KCNH2 Q12809 1/20 0.33
AOC3 Q16853 1/20 0.33
MAPK14 Q16539 1/20 0.33
DGAT1 O75907 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL143358 0.91 HRH3 (0.45) HRH3CXCR4ALOX15HIF1AEPAS1
SCHEMBL21550453 0.80 HRH3 (0.43) HRH3DGAT1
SCHEMBL1485000 0.79 HRH3 (0.42) HRH3KCNH2DGAT1
SCHEMBL30434278 0.78 LTA4H (0.39) HRH3DGAT1
SCHEMBL15647594 0.78 LTA4H (0.39) HRH3DGAT1
SCHEMBL12314740 0.77 HRH3 (0.41) HRH3CXCR4ALOX15HIF1AEPAS1
SCHEMBL15648977 0.77 DGAT1 (0.40) CXCR4DGAT1
SCHEMBL30889384 0.77 DGAT1 (0.40) CXCR4DGAT1
SCHEMBL22561593 0.74 DGAT1 (0.38) HRH3DGAT1
SCHEMBL34471611 0.74 DGAT1 (0.37) DGAT1

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
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed