SCHEMBL9726828

SCHEMBL9726828

O=C1NCCCC12CCCN(Cc1ccccc1)C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CXCR3 P49682 1/20 0.42
CYP2D6 P10635 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
RIPK1 Q13546 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9726979 0.85 KMT2A (1.00) KMT2AMEN1HCRTR1HCRTR2DDB1
SCHEMBL26617203 0.81 KMT2A (0.47) KMT2AMEN1GRIN1GRIN2ASMN1; SMN2
SCHEMBL1951070 0.78 KMT2A (0.64) KMT2AMEN1HCRTR1HCRTR2DDB1
SCHEMBL5093540 0.75 KMT2A (0.73) KMT2AMEN1HCRTR1HCRTR2DDB1
SCHEMBL12641233 0.75 MEN1 (0.64) KMT2AMEN1HCRTR1HCRTR2DDB1
SCHEMBL26617223 0.75 KMT2A (0.76) KMT2AMEN1HCRTR1HCRTR2DDB1
SCHEMBL4619569 0.75 SMN1; SMN2 (0.71) KMT2AMEN1DDB1CRBNL3MBTL1
SCHEMBL9726950 0.73 GRIN1 (0.43) KMT2AMEN1GRIN1GRIN2ACYP2D6
SCHEMBL14016406 0.72 KMT2A (0.56) KMT2AMEN1HCRTR1HCRTR2DDB1
SCHEMBL17608847 0.72 LTA4H (0.62) KMT2AMEN1CXCR3CYP2D6OPRM1

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
US-5128466-A For monitoring lithium levels in patients receiving lithium treatment for depression THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-07-07 US disclosed