SCHEMBL5178963

SCHEMBL5178963

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
DGKA P23743 1/20 0.39
EPHX2 P34913 2/20 0.36
HTR4 Q13639 3/20 0.36
CYP2C9 P11712 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CCR1 P32246 1/20 0.35
TLR2 O60603 2/20 0.35
NAAA Q02083 2/20 0.34
EPHX1 P07099 1/20 0.34
HTR2C P28335 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL5178169 0.84 DNM1 (0.45) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179258 0.84 DNM1 (0.45) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179404 0.83 DNM1 (0.47) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5178032 0.83 GNAI3 (0.51) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5178119 0.83 GNAI3 (0.51) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5188960 0.81 DNM1 (0.47) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179274 0.81 DNM1 (0.47) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179463 0.81 DNM1 (0.46) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179869 0.80 GNAI3 (0.53) DNM1GNAI3GNAO1GNAI1DGKA
SCHEMBL5179896 0.80 GNAI3 (0.53) 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 3 patents. 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
EP-0927174-A1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS MediGene Oncology GmbH (DE) 1999-07-07 EP disclosed
WO-1998011082-A1 NEW AMINO ALCOHOL DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND MEDICAMENTS AND REAGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1998-03-19 WO disclosed