SCHEMBL4597403

SCHEMBL4597403

O=C1NCC(c2cccc(Cl)c2)(C2CCOCC2)N1C1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.52
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CCR4 P51679 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR2 P34972 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL4596616 0.83 CHRM3 (0.41) CCR5CHRM2CHRM3CXCR3
SCHEMBL4597887 0.79 CHRM3 (0.42) CHRM2CHRM3CXCR3
SCHEMBL4597404 0.76 CCR5 (0.45) CCR5CHRM2CHRM3EGLN1CNR2
SCHEMBL4597759 0.75 KCNJ1 (0.51)
SCHEMBL4597256 0.74 DRD2 (0.34) CXCR3
SCHEMBL5576322 0.74 CCR5 (0.87) CCR5CCR4KCNH2
SCHEMBL4626226 0.74 CCR5 (0.42) CCR5CHRM2CHRM3
SCHEMBL4597896 0.68 CCR5 (1.00) CCR5CCR4KCNH2
SCHEMBL5576372 0.68 CCR5 (0.80) CCR5CCR4KCNH2
SCHEMBL5575471 0.68 CCR5 (1.00) CCR5CCR4KCNH2

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