SCHEMBL3421909

SCHEMBL3421909

CCCC(C(=O)O)N(CCN)CCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A2 P43004 3/20 0.46
SLC1A1 P43005 3/20 0.46
GRIK1 P39086 3/20 0.46
GRIK2 Q13002 3/20 0.46
SLC1A3 P43003 2/20 0.46
NOD1 Q9Y239 2/20 0.39
GABRR1 P24046 2/20 0.39
CYP3A4 P08684 2/20 0.35

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
SCHEMBL11256357 0.85 GRIK1 (0.47) SLC1A2SLC1A1GRIK1GRIK2NOD1
SCHEMBL10878349 0.85 GRIK1 (0.47) SLC1A2SLC1A1GRIK1GRIK2NOD1
SCHEMBL608197 0.85 GRIK1 (0.47) SLC1A2SLC1A1GRIK1GRIK2NOD1
SCHEMBL129873 0.85 GRIK1 (0.47) SLC1A2SLC1A1GRIK1GRIK2NOD1
SCHEMBL1830577 0.85 GRIK1 (0.47) SLC1A2SLC1A1GRIK1GRIK2NOD1
SCHEMBL22433660 0.85 NOD1 (0.44) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL3783724 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3783721 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12932066 0.85 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8144409 0.84 GRIK1 (0.46) SLC1A2SLC1A1GRIK1GRIK2NOD1

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-2010005737-A2 ARTIFICIAL CARBOHYDRATE RECEPTORS AND METHODS OF USE THEREOF FLORIDA ATLANTIC UNIVERSITY (US) 2010-01-14 WO disclosed