SCHEMBL4587688

SCHEMBL4587688

Cc1ncnc(C)c1C(=O)N[C@H](C)CCN1CCC(N(Cc2cc(C#N)ccc2F)c2ccc(OCC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.41
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL4587024 0.94 CCR5 (0.44) CCR5
SCHEMBL4586174 0.92 CCR5 (0.43) CCR5
SCHEMBL4586245 0.88 CCR5 (0.42) CCR5
SCHEMBL4240791 0.86 CCR5 (0.58) CCR5
SCHEMBL4586706 0.85 CCR5 (0.40) CCR5
SCHEMBL4585509 0.85 CCR5 (0.38) CCR5
SCHEMBL4586221 0.82 CCR5 (0.48) CCR5
SCHEMBL4587438 0.82 CCR5 (0.50) CCR5
SCHEMBL4586351 0.81 CCR5 (0.51) CCR5
SCHEMBL4236044 0.80 CCR5 (0.62) CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed