SCHEMBL12464317

SCHEMBL12464317

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
SLC1A3 P43003 2/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
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
CYP3A4 P08684 2/20 0.37

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
Hydrochloric Acid SCHEMBL30885561 0.84 CA2 (0.52) CA1CA2SLC1A2SLC1A1SLC1A3
SCHEMBL3515063 0.80 CHRM1 (0.50) CA2SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL13503305 0.80 SLC1A2 (0.39) CA1CA2SLC1A2SLC1A1SLC1A3
SCHEMBL3515065 0.80 CHRM1 (0.50) CA2SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL13883453 0.80 SLC1A2 (0.39) CA1CA2SLC1A2SLC1A1SLC1A3
SCHEMBL13637318 0.80 CHRM1 (0.50) CA2SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL6433806 0.79
SCHEMBL3178870 0.78 CA1 (0.40) CA1CA2SLC1A2SLC1A1SLC1A3
SCHEMBL8234716 0.78 CA1 (0.40) CA1CA2SLC1A2SLC1A1SLC1A3
SCHEMBL2012397 0.78 CA1 (0.40) CA1CA2SLC1A2SLC1A1SLC1A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985402-B2 Ultrasound contrast agent of peptide monomers; peptide vectors having high KDR binding affinity; gas filled microvesicle containing a fluorinated gas and a phospholipid BRACCO SUISSE SA (CH) 2011-07-26 US disclosed
US-7794693-B2 Peptide-phospholipid conjugate;ultrasound contrast agent compositions; imaging KDR-containing tissue, evaluating angiogenic processes associated with neoplastic conditions BRACCO INTERNATIONAL B.V. (NL) 2010-09-14 US disclosed
US-20090131636-A1 TARGETING VECTOR-PHOSPHOLIPID CONJUGATES BRACCO INTERNATIONAL B.V. (NL) 2009-05-21 US disclosed
US-20080152594-A1 TARGETING VECTOR-PHOSPHOLIPID CONJUGATES BRACCO SUISSE SA (CH) 2008-06-26 US disclosed