SCHEMBL4069146

SCHEMBL4069146

CC(C)(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(CCCC(=O)O)Cc1ncc[nH]1)C2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.42
TBXAS1 P24557 2/20 0.33

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
SCHEMBL4075998 0.91 CXCR4 (0.42) CXCR4TBXAS1
SCHEMBL4068839 0.90 CXCR4 (0.39) CXCR4
SCHEMBL4066677 0.89 CXCR4 (0.43) CXCR4
SCHEMBL4067781 0.89 CXCR4 (0.53) CXCR4TBXAS1
SCHEMBL4230858 0.89 CXCR4 (0.48) CXCR4TBXAS1
SCHEMBL4075716 0.89 CXCR4 (0.39) CXCR4
SCHEMBL4066327 0.88 CXCR4 (0.51) CXCR4TBXAS1
SCHEMBL4072227 0.88 CXCR4 (0.42) CXCR4TBXAS1
SCHEMBL4073790 0.88 CXCR4 (0.53) CXCR4TBXAS1
SCHEMBL4074096 0.87 CXCR4 (0.41) 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-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed