SCHEMBL5179463

SCHEMBL5179463

CCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCC)CC1CCN(CCCCN)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.46
DGKA P23743 1/20 0.43
GNAO1 P09471 4/20 0.40
GNAI3 P08754 3/20 0.40
GNAI1 P63096 3/20 0.40
HTR4 Q13639 4/20 0.40
CHRM1 P11229 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2C P28335 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
KCNH2 Q12809 2/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 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
SCHEMBL5179274 0.97 DNM1 (0.47) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5188960 0.97 DNM1 (0.47) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5177904 0.93 DNM1 (0.48) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5180334 0.93 DNM1 (0.48) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5179132 0.89 DNM1 (0.55) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5179258 0.86 DNM1 (0.45) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5178169 0.86 DNM1 (0.45) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL8444937 0.86 DNM1 (0.47) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5179404 0.86 DNM1 (0.47) DNM1DGKAGNAO1GNAI3GNAI1
SCHEMBL5180036 0.84 DNM1 (0.41) DNM1DGKAGNAO1GNAI3GNAI1

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