SCHEMBL4597857

SCHEMBL4597857

O=C(O)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.57
CCR4 P51679 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5576084 0.86 CCR5 (0.54) CCR5CCR4KCNH2
SCHEMBL5576089 0.86 CCR5 (0.54) CCR5CCR4KCNH2
SCHEMBL4609996 0.81 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4610004 0.81 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4610033 0.78 CCR5 (0.43) CCR5CCR4KCNH2
SCHEMBL5572449 0.78 CCR5 (0.47) CCR5CCR4KCNH2
SCHEMBL4610206 0.78 CCR5 (0.54) CCR5
SCHEMBL4608051 0.77 CCR5 (0.46) CCR5CCR4KCNH2
SCHEMBL4598523 0.77 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL4597898 0.75 CCR5 (0.56) CCR5CCR4

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