SCHEMBL4597464

SCHEMBL4597464

O=C(CI)N1CC(c2ccccc2)N(C2CCNCC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.39
NSD3 Q9BZ95 1/20 0.36

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
SCHEMBL27747216 0.86 SLC18A3 (0.39) CCR5NSD3
SCHEMBL4598041 0.86 SLC18A3 (0.39) CCR5NSD3
SCHEMBL4596166 0.84 NSD3 (0.40) CCR5NSD3
SCHEMBL5575622 0.84 NSD3 (0.40) CCR5NSD3
SCHEMBL4596334 0.81 MAPT (0.44) CCR5NSD3
SCHEMBL4596330 0.81 MAPT (0.44) CCR5NSD3
SCHEMBL4598194 0.81 CCR5 (0.41) CCR5NSD3
SCHEMBL5575040 0.81 MEN1 (0.47) CCR5NSD3
SCHEMBL4597932 0.81 MEN1 (0.47) CCR5NSD3
SCHEMBL4597856 0.81 CCR5 (0.45) CCR5NSD3

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed