SCHEMBL5178486

SCHEMBL5178486

CCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCC)CCC1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
DGKA P23743 1/20 0.39
F10 P00742 3/20 0.39
HRH3 Q9Y5N1 5/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
BCHE P06276 1/20 0.37
P2RY12 Q9H244 1/20 0.37
P2RX7 Q99572 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
SCHEMBL5180328 1.00 DNM1 (0.43) DNM1DGKAF10HRH3SPHK1
Hydrochloric Acid SCHEMBL5177966 0.91 DNM1 (0.42) DNM1DGKAF10HRH3SPHK1
SCHEMBL5178825 0.86 ITGB3 (0.43) DNM1DGKAF10HRH3SPHK1
Hydrochloric Acid SCHEMBL5178263 0.85 DNM1 (0.43) DNM1DGKAF10HRH3SPHK1
Hydrochloric Acid SCHEMBL5180775 0.85 DNM1 (0.43) DNM1DGKAF10HRH3SPHK1
SCHEMBL5180029 0.76 DNM1 (0.52) DNM1DGKAITGB3ITGA2B
SCHEMBL5177645 0.76 DNM1 (0.52) DNM1DGKAITGB3ITGA2B
SCHEMBL20561188 0.74 DNM1 (0.47) DNM1DGKABCHE
SCHEMBL20561301 0.74 DNM1 (0.47) DNM1DGKABCHE
SCHEMBL20590110 0.74 DNM1 (0.47) DNM1DGKABCHE

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