SCHEMBL29951980

SCHEMBL29951980

CCCCN(CCCC)Cc1ccccc1B(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
BCHE P06276 6/20 0.42
ACHE P22303 2/20 0.42
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR1A P08908 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL13937597 0.88 LIPG (0.49) LIPGMAPTBCHEACHEDRD2
SCHEMBL14193159 0.85 LIPG (0.53) LIPGBCHEACHEDRD2OPRM1
SCHEMBL11797948 0.85 MAPT (0.52) MEN1KMT2ANPSR1MAPTBCHE
SCHEMBL29592212 0.83 LIPG (0.52) LIPGMEN1KMT2AMAPTACHE
SCHEMBL1133300 0.83 LIPG (0.52) LIPGMEN1KMT2AMAPTACHE
SCHEMBL10486437 0.80 HTR1A (0.56) MEN1KMT2ANPSR1MAPTBCHE
SCHEMBL7132160 0.79 KCNH2 (0.51) LIPGMEN1KMT2ANPSR1MAPT
SCHEMBL29950699 0.79 KMT2A (0.44) LIPGMEN1KMT2AMAPTBCHE
SCHEMBL7128102 0.79 KCNH2 (0.50) MEN1KMT2ANPSR1MAPTBCHE
SCHEMBL29601849 0.78 MAPT (0.62) MEN1KMT2ANPSR1MAPTBCHE

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed