SCHEMBL4268769

SCHEMBL4268769

CCN(CC)CCC(CC(N)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FOLH1 Q04609 2/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
SLC1A3 P43003 3/20 0.35
GRIK1 P39086 3/20 0.35
GRIK2 Q13002 3/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL15640198 0.89 CA2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15900035 0.85 FOLH1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29624642 0.80 CA2 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15033639 0.79 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21017198 0.78 CHRM1 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27809820 0.78 CHRM1 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10797285 0.77 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5282420 0.76 SLC1A2 (0.65) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL7145291 0.76 FOLH1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10357849 0.76 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-2114370-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME Allergan, Inc. (US) 2009-11-11 EP disclosed
WO-2008094659-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. (US) 2008-08-07 WO disclosed