SCHEMBL4043056

SCHEMBL4043056

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
HCRTR2 O43614 1/20 0.35
KCNQ1 P51787 1/20 0.33
LMNA P02545 3/20 0.33
CLK1 P49759 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.32
GFER P55789 1/20 0.32
ATM Q13315 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL4041872 0.93 CTSK (0.38) HSD17B10HCRTR2KCNQ1LMNACLK1
SCHEMBL4051011 0.91 HCRTR2 (0.34) HSD17B10HCRTR2KCNQ1LMNACLK1
SCHEMBL4051650 0.91 HSD17B10 (0.36) HSD17B10HCRTR2KCNQ1LMNACLK1
SCHEMBL4044199 0.90 SMYD3 (0.34) TSHRSMYD3
SCHEMBL4042699 0.90 CTSK (0.32) PREPFAP
SCHEMBL6238658 0.90 HSD17B10 (0.37) HSD17B10HCRTR2KCNQ1LMNACLK1
SCHEMBL4039560 0.90 HCRTR2 (0.33) HSD17B10HCRTR2KCNQ1LMNACLK1
SCHEMBL4047006 0.89 HSD17B10 (0.38) HSD17B10HCRTR2KCNQ1LMNASMN1; SMN2
SCHEMBL4040945 0.89 CTSK (0.31)
SCHEMBL4041176 0.87 CTSL (0.36) PREPFAP

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-2010518-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007113258-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed