SCHEMBL8524329

SCHEMBL8524329

c1nc(CCC2CCCCC2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
DAO P14920 3/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR3A P46098 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CEL P19835 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9850899 0.90 HRH4 (0.40) HRH4HRH3DAOLMNATSHR
SCHEMBL7625072 0.87 GPR84 (0.42) HRH4HRH3CEL
SCHEMBL7621912 0.84 HRH4 (0.32) HRH4HRH3DAOLMNATSHR
SCHEMBL7069782 0.84 CDK1 (0.33) HRH4HRH3DAOLMNATSHR
SCHEMBL7069780 0.84 CDK1 (0.33) HRH4HRH3DAOLMNATSHR
SCHEMBL7069783 0.84 CDK1 (0.33) HRH4HRH3DAOLMNATSHR
SCHEMBL6353897 0.84 HRH3 (0.49) HRH4HRH3
SCHEMBL7971225 0.83 HRH3 (0.40) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL7977147 0.83 HRH4 (0.38) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL7621345 0.82 HRH4 (0.30) HRH4HRH3LMNATSHRHTT

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
WO-1999006377-A1 DERIVATIVES OF 1-((3,3-DIMETHYL-3-SILABUTOXY)METHYL)-2-(PHENYLSULFONYL)IMIDAZOLE GLIATECH, INC. (US) 1999-02-11 WO disclosed