SCHEMBL5178032

SCHEMBL5178032

CCCCCCCCCCCCCC(=O)OCCN(CCCN1CCC(N)CC1)CCOC(=O)CCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.51
GNAO1 P09471 2/20 0.51
GNAI1 P63096 2/20 0.51
DNM1 Q05193 1/20 0.49
DGKA P23743 1/20 0.46
SPHK1 Q9NYA1 1/20 0.41
NAAA Q02083 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HRH2 P25021 5/20 0.38
HRH1 P35367 5/20 0.38
PRKCA P17252 2/20 0.38
PAM P19021 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5178119 1.00 GNAI3 (0.51) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5179896 0.97 GNAI3 (0.53) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5179869 0.97 GNAI3 (0.53) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5179893 0.94 DNM1 (0.50) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5180378 0.94 DNM1 (0.50) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5179404 0.89 DNM1 (0.47) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5178169 0.87 DNM1 (0.45) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5179258 0.87 DNM1 (0.45) GNAI3GNAO1GNAI1DNM1DGKA
Hydrochloric Acid SCHEMBL5178867 0.84 DNM1 (0.52) GNAI3GNAO1GNAI1DNM1DGKA
SCHEMBL5178963 0.83 DNM1 (0.44) GNAI3GNAO1GNAI1DNM1DGKA

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-0927174-B1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS MEDIGENE AG (DE) 2007-12-12 EP disclosed