SCHEMBL26432016

SCHEMBL26432016

CC(CC(=O)O)OCCC(C)(C)OCCN

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
PGD P52209 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
SCHEMBL25135402 0.83 PGD (0.32) PGD
SCHEMBL21520585 0.81 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL21418259 0.80 PGD (0.34) PGD
SCHEMBL12712610 0.80
Hydrochloric Acid SCHEMBL6828027 0.79 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18974287 0.78
SCHEMBL12066131 0.77 CACNA2D1 (0.31) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL20851476 0.76
SCHEMBL17297657 0.75 ALDH1A1 (0.36)
SCHEMBL18648084 0.75 KDM4E (0.39) ADRA1A

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-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed