SCHEMBL4067105

SCHEMBL4067105

CCC(CC)N1CCC2(CCN(CCCn3ccnc3CN(Cc3ccc4cc([O])ccc4c3)Cc3ncc[nH]3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.40

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
SCHEMBL4067109 0.92 CXCR4 (0.40) CXCR4
SCHEMBL4073711 0.89 CXCR4 (0.40) CXCR4
SCHEMBL4069578 0.87 CXCR4 (0.42) CXCR4
SCHEMBL4074607 0.86 CXCR4 (0.38) CXCR4
SCHEMBL4074612 0.86 CXCR4 (0.38) CXCR4
SCHEMBL4070805 0.86 CXCR4 (0.44) CXCR4
SCHEMBL4069884 0.85 CXCR4 (0.43) CXCR4
SCHEMBL2626917 0.85 CXCR4 (0.40) CXCR4
SCHEMBL4075534 0.85 CXCR4 (0.43) CXCR4
SCHEMBL4074199 0.84 CXCR4 (0.39) 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