SCHEMBL7043667

SCHEMBL7043667

CCCCOC(CC)N1CCNCCNCCNCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRD1 P41143 2/20 0.31
OPRM1 P35372 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
SCHEMBL10928292 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KCNH2OPRD1
SCHEMBL10924932 0.75 SLC6A2 (0.36) SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10926858 0.75 SIGMAR1 (0.41) GNAI3GNAO1GNAI1SIGMAR1SLC6A2
SCHEMBL3576050 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KCNH2OPRD1
SCHEMBL9543322 0.72 MAPT (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL7296553 0.70 MAPT (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL10652779 0.69 GNAI3 (0.35) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL29132530 0.69 SLC6A2 (0.35) GNAI3GNAO1GNAI1SIGMAR1SLC6A2
SCHEMBL29132532 0.68 SIGMAR1 (0.37) GNAI3GNAO1GNAI1SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL11371125 0.68 GNAI3 (0.33) GNAI3GNAO1GNAI1SIGMAR1SLC6A2

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-1289571-B1 PROCHELATORS OF RADIOMETAL LABELED MOLECULES UNIV HOSPITAL (CH) 2004-07-21 EP disclosed