SCHEMBL15516720

SCHEMBL15516720

NCCCCNCC(=O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GSR P00390 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
DPP7 Q9UHL4 8/20 0.35
CA12 O43570 1/20 0.35
F13A1 P00488 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CA3 P07451 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL5440658 0.83 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28586571 0.80 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL845919 0.80 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL21988570 0.80 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5010331 0.80 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL1191631 0.80 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL344574 0.79 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL20240364 0.79 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL1404247 0.79 GSR (0.61) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL23757442 0.78 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7

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-2892914-A1 TETRABRANCHED PEPTIDES AND ANALOGUES AS A NEW CLASS OF ANTIMICROBIALS AND THEIR PREPARATION THEREOF Agency For Science, Technology And Research (SG) 2015-07-15 EP disclosed
WO-2014039013-A1 TETRABRANCHED PEPTIDES AND ANALOGUES AS A NEW CLASS OF ANTIMICROBIALS AND THEIR PREPARATION THEREOF AGENCY OF SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-03-13 WO disclosed