SCHEMBL5177645

SCHEMBL5177645

CCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCC)CCC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
GNAO1 P09471 7/20 0.49
GNAI3 P08754 6/20 0.49
GNAI1 P63096 6/20 0.49
DGKA P23743 1/20 0.49
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
NAAA Q02083 2/20 0.40
PAM P19021 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL5180029 1.00 DNM1 (0.52) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL19032425 0.93 GNAO1 (0.47) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL19032418 0.93 GNAO1 (0.47) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL20589546 0.93 GNAI3 (0.47) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL20589918 0.93 GNAO1 (0.47) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL19032546 0.93 GNAO1 (0.47) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL20588862 0.93 GNAI3 (0.47) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL19032420 0.91 GNAO1 (0.45) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL15781599 0.90 GNAO1 (0.46) DNM1GNAO1GNAI3GNAI1DGKA
SCHEMBL19032516 0.89 GNAO1 (0.48) DNM1GNAO1GNAI3GNAI1DGKA

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