SCHEMBL10033857

SCHEMBL10033857

CC(C)CCNCCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.61
GNAO1 P09471 1/20 0.61
GNAI1 P63096 1/20 0.61
DPP7 Q9UHL4 2/20 0.54
RRM1 P23921 1/20 0.52
NOS1 P29475 1/20 0.44
MMP2 P08253 1/20 0.41
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 2/20 0.41
DNPEP Q9ULA0 2/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
TERT O14746 2/20 0.41
PAOX Q6QHF9 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL12085598 1.00 GNAI3 (0.61) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033855 0.90 GNAI3 (0.59) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085595 0.90 GNAI3 (0.59) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033839 0.90 GNAI3 (0.62) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085567 0.90 GNAI3 (0.62) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL24179776 0.90 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12085475 0.90 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10033848 0.90 GNAI3 (0.69) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965246 0.88 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965329 0.88 GNAI3 (0.71) GNAI3GNAO1GNAI1DPP7RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43327-E1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. (US) 2012-04-24 US disclosed
US-RE43327-E1 Hydrophobic polyamine analogs and methods for their use AMINEX THERAPEUTICS, INC. (US) 2012-04-24 US disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed