SCHEMBL5180378

SCHEMBL5180378

CCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCC)CCN1CCC(N)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.50
GNAI3 P08754 3/20 0.49
GNAO1 P09471 3/20 0.49
GNAI1 P63096 3/20 0.49
DGKA P23743 1/20 0.47
SPHK1 Q9NYA1 1/20 0.41
NAAA Q02083 2/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PRKCA P17252 2/20 0.38
PAM P19021 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2C P28335 1/20 0.37
EPHX2 P34913 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5179893 1.00 DNM1 (0.50) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5178119 0.94 GNAI3 (0.51) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5178032 0.94 GNAI3 (0.51) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179896 0.93 GNAI3 (0.53) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179869 0.93 GNAI3 (0.53) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179404 0.83 DNM1 (0.47) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5177904 0.81 DNM1 (0.48) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5180334 0.81 DNM1 (0.48) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5178169 0.81 DNM1 (0.45) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179258 0.81 DNM1 (0.45) DNM1GNAI3GNAO1GNAI1DGKA

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