SCHEMBL4881182

SCHEMBL4881182

NCc1ccc(CNC2CCCc3ccc(Cc4nc5ccccc5[nH]4)nc32)cc1O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.46

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
SCHEMBL7104696 0.80 CXCR4 (0.61) CXCR4
SCHEMBL31059309 0.80 CXCR4 (0.61) CXCR4
SCHEMBL3403177 0.77 CXCR4 (0.41) CXCR4
SCHEMBL4760826 0.74 CXCR4 (0.49) CXCR4
SCHEMBL2505752 0.71 CXCR4 (0.79) CXCR4
Bromide SCHEMBL15704188 0.71 CXCR4 (0.78) CXCR4
SCHEMBL3409027 0.69 CXCR4 (0.47) CXCR4
SCHEMBL3408734 0.69 CXCR4 (0.47) CXCR4
SCHEMBL4760828 0.69 SLC40A1 (0.59) CXCR4
SCHEMBL31257251 0.69 SLC40A1 (0.59) CXCR4

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-1991221-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION Genzyme Corporation (US) 2008-11-19 EP disclosed
WO-2007106063-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION (US) 2007-09-20 WO disclosed