SCHEMBL8444937

SCHEMBL8444937

CCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCC)C1CCN(CCCCN)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.47
DGKA P23743 1/20 0.43
GNAI3 P08754 4/20 0.40
GNAO1 P09471 4/20 0.40
GNAI1 P63096 4/20 0.40
HTR2C P28335 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KCNH2 Q12809 1/20 0.37
BCHE P06276 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CNR1 P21554 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PRKCA P17252 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 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
SCHEMBL5178843 0.97 DNM1 (0.48) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL5178907 0.97 DNM1 (0.48) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL5180290 0.93 DNM1 (0.49) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL8521401 0.93 DNM1 (0.49) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL5179669 0.89 DNM1 (0.56) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL5178746 0.88 DNM1 (0.58) DNM1DGKABCHEALDH1A1PRKCA
SCHEMBL5180320 0.86 DNM1 (0.49) DNM1DGKAPRSS1PRSS2PRSS3
SCHEMBL5179463 0.86 DNM1 (0.46) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL5188960 0.82 DNM1 (0.47) DNM1DGKAGNAI3GNAO1GNAI1
SCHEMBL5179274 0.82 DNM1 (0.47) DNM1DGKAGNAI3GNAO1GNAI1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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