SCHEMBL10033860

SCHEMBL10033860

CCCCCCCNCCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.83
▸ GNAO1 P09471 1/20 0.83
▸ GNAI1 P63096 1/20 0.83
▸ RRM1 P23921 1/20 0.73
▸ DPP7 Q9UHL4 3/20 0.70
▸ SIRT6 Q8N6T7 1/20 0.56
▸ SIRT1 Q96EB6 1/20 0.56
▸ TLR2 O60603 5/20 0.51
▸ NOD1 Q9Y239 1/20 0.51
▸ S1PR2 O95136 2/20 0.50
▸ S1PR1 P21453 2/20 0.50
▸ S1PR3 Q99500 2/20 0.50
▸ S1PR5 Q9H228 1/20 0.50
▸ GRIA1 P42261 1/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.47
▸ RELA Q04206 4/20 0.47

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
SCHEMBL19407777 1.00 GNAI3 (0.83) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL19402067 1.00 GNAI3 (0.83) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL19407832 1.00 GNAI3 (0.83) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL12085596 1.00 GNAI3 (0.83) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL12085594 1.00 GNAI3 (0.83) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL10033861 1.00 GNAI3 (0.83) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL22646980 0.99 GNAI3 (0.86) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL12085597 0.96 GNAI3 (0.76) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL10033856 0.96 GNAI3 (0.76) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL14048412 0.94 DPP7 (0.73) GNAI3GNAO1GNAI1RRM1DPP7

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
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