SCHEMBL21664792

SCHEMBL21664792

CCN(CC)CCCS(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
SLC2A1 P11166 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
PAOX Q6QHF9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL21664697 0.78 NPSR1 (0.41) NPSR1SIGMAR1SLC2A1CHRM2HTR1A
SCHEMBL25761275 0.75 PLA2G1B (0.36) NPSR1SIGMAR1CHRM2SLC6A4DRD3
SCHEMBL15052279 0.75 SIGMAR1 (0.48) NPSR1SIGMAR1SLC2A1CHRM2HTR1A
SCHEMBL234338 0.75 SIGMAR1 (0.48) NPSR1SIGMAR1SLC2A1CHRM2HTR1A
SCHEMBL235041 0.75 SIGMAR1 (0.42) NPSR1SIGMAR1SLC2A1CHRM2HTR1A
SCHEMBL918207 0.72 NPSR1 (0.50) NPSR1SIGMAR1PAOXALDH1A1
SCHEMBL3903877 0.72 NPSR1 (0.41) NPSR1SIGMAR1SLC2A1PAOXALDH1A1
SCHEMBL1980876 0.72 NPSR1 (0.41) NPSR1SIGMAR1SLC2A1PAOXALDH1A1
SCHEMBL3903880 0.72 NPSR1 (0.46) NPSR1SIGMAR1SLC2A1PAOXALDH1A1
SCHEMBL2564528 0.72 SIGMAR1 (0.46) SIGMAR1SLC2A1CHRM2HTR1AADRA2A

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-3936226-A2 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY Waters Technologies Corporation (US) 2022-01-12 EP disclosed
EP-3301120-B1 METHOD FOR PREPARING MODIFIED CONJUGATED DIENE-BASED POLYMER LG CHEMICAL LTD (KR) 2020-02-05 EP disclosed