SCHEMBL3376027

SCHEMBL3376027

NCc1cc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)ccc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.77

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
SCHEMBL2508453 0.90 CXCR4 (0.81) CXCR4
SCHEMBL2508586 0.87 CXCR4 (0.95) CXCR4
SCHEMBL2505752 0.87 CXCR4 (0.79) CXCR4
SCHEMBL2509877 0.87 CXCR4 (1.00) CXCR4
SCHEMBL3378111 0.86 CXCR4 (1.00) CXCR4
SCHEMBL2511070 0.86 CXCR4 (1.00) CXCR4
Bromide SCHEMBL15704188 0.86 CXCR4 (0.78) CXCR4
SCHEMBL2508430 0.86 CXCR4 (1.00) CXCR4
SCHEMBL13909512 0.85 CXCR4 (0.91) CXCR4
SCHEMBL2511399 0.85 CXCR4 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP claimed