SCHEMBL3515065

SCHEMBL3515065

CCCC(N)[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC1A2 P43004 5/20 0.48
SLC1A1 P43005 5/20 0.48
SLC1A3 P43003 4/20 0.48
GRIK1 P39086 3/20 0.48
GRIK2 Q13002 3/20 0.48
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.38

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
SCHEMBL3515063 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13637318 1.00 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL31572071 0.86 SLC1A2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22418748 0.84 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL21585632 0.84 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL28611446 0.82 GPR84 (0.55) SLC1A2SLC1A1GRIK1GRIK2CYP3A4
SCHEMBL6760745 0.80 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13883453 0.80 SLC1A2 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12464317 0.80 CA1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7076350 0.80 CHRM1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765910-B2 Method for amidating polypeptides with basic amino acid C-terminals by means of specific endoproteases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-01 US disclosed
US-20100311112-A1 METHOD FOR AMIDATING POLYPEPTIDES WITH BASIC AMINO ACID C-TERMINALS BY MEANS OF SPECIFIC ENDOPROTEASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-12-09 US disclosed
WO-2009141687-A1 NEW OPTICALLY PURE COMPOUNDS FOR IMPROVED THERAPEUTIC EFFICIENCY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-11-26 WO disclosed