SCHEMBL14588779

SCHEMBL14588779

N=C(N)NCCCC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccc(N)cc2)NC(=O)CNC1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.51
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
KDM4A O75164 1/20 0.47
NNMT P40261 1/20 0.44

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
SCHEMBL14588780 0.91 CXCR4 (0.51) CXCR4ITGB3ITGA2BKDM4ANNMT
SCHEMBL29393726 0.90 ITGB3 (0.59) CXCR4ITGB3ITGA2BKDM4A
SCHEMBL29382336 0.87 CXCR4 (0.65) CXCR4
SCHEMBL15987252 0.87 CXCR4 (0.65) CXCR4
SCHEMBL29519790 0.87 CXCR4 (0.53) CXCR4ITGB3ITGA2BKDM4A
SCHEMBL10049936 0.87 ITGB3 (0.56) CXCR4ITGB3ITGA2BKDM4A
SCHEMBL31328349 0.87 CXCR4 (0.46) CXCR4KDM4A
SCHEMBL19018803 0.86 GNAI1 (0.47) CXCR4ITGB3ITGA2BKDM4A
SCHEMBL24454392 0.86 ITGB3 (0.56) CXCR4ITGB3ITGA2BKDM4A
SCHEMBL19018807 0.86 ITGB3 (0.56) CXCR4ITGB3ITGA2BKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183279-B2 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2007-02-27 US disclosed