SCHEMBL8527545

SCHEMBL8527545

C[CH]CCCCN(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
SLC2A1 P11166 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KCNH2 Q12809 3/20 0.31
CHRM1 P11229 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
ADRA1A P35348 2/20 0.31
OPRM1 P35372 2/20 0.31
DRD3 P35462 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 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
SCHEMBL644835 0.92 SIGMAR1 (0.34) SIGMAR1HRH3ALDH1A1HRH4SLC2A1
SCHEMBL1807352 0.80
SCHEMBL7033894 0.80 SIGMAR1 (0.35) SIGMAR1HRH3ALDH1A1HRH4NPSR1
SCHEMBL234338 0.80 SIGMAR1 (0.48) SIGMAR1HRH3ALDH1A1HRH4SLC2A1
SCHEMBL15052279 0.80 SIGMAR1 (0.48) SIGMAR1HRH3ALDH1A1HRH4SLC2A1
SCHEMBL5855878 0.78 PAOX (0.35) SIGMAR1HRH3ALDH1A1HRH4NPSR1
SCHEMBL17688545 0.78 PAOX (0.35) SIGMAR1HRH3ALDH1A1HRH4NPSR1
SCHEMBL5854958 0.78 PAOX (0.35) SIGMAR1HRH3ALDH1A1HRH4NPSR1
SCHEMBL5853120 0.78 PAOX (0.35) SIGMAR1HRH3ALDH1A1HRH4NPSR1
SCHEMBL5853117 0.78 PAOX (0.35) SIGMAR1HRH3ALDH1A1HRH4NPSR1

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
EP-0526068-B1 Phthalocyanine pigment compositions CIBA GEIGY AG (CH) 1998-12-30 EP disclosed