SCHEMBL10033845

SCHEMBL10033845

NCCCNCCCCNCCCNC(=O)[C@H](N)CCCCNC(=O)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
PKM P14618 2/20 0.56
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
MMP2 P08253 1/20 0.49
TSHR P16473 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
TERT O14746 2/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL12085451 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PKMGRIN1GRIN2A
SCHEMBL18906002 0.82 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2PKMTSHRHDAC3
SCHEMBL12085474 0.81 GRIN1 (0.61) GRIN1GRIN2AMMP2GNAI3GNAO1
SCHEMBL10033846 0.81 GRIN1 (0.61) GRIN1GRIN2AMMP2GNAI3GNAO1
SCHEMBL21689911 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2PKMTSHRHDAC3
SCHEMBL10069005 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2PKMTSHRHDAC3
SCHEMBL24179776 0.79 GNAI3 (0.69) SMN1; SMN2PKMGRIN1GRIN2AMMP2
SCHEMBL10033848 0.79 GNAI3 (0.69) SMN1; SMN2PKMGRIN1GRIN2AMMP2
SCHEMBL12085475 0.79 GNAI3 (0.69) SMN1; SMN2PKMGRIN1GRIN2AMMP2
SCHEMBL12085568 0.78 GRIN1 (0.59) SMN1; SMN2GRIN1GRIN2AMMP2HDAC3

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