SCHEMBL4603239

SCHEMBL4603239

COc1ccc(N(Cc2cc(C#N)ccc2F)C2CCN(C(C)CCNC(=O)C3=C(C)C(=O)CN=C3C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.58
KCNH2 Q12809 1/20 0.51

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
SCHEMBL4586581 0.94 CCR5 (0.52) CCR5
SCHEMBL4586601 0.92 CCR5 (0.58) CCR5
SCHEMBL4586825 0.91 CCR5 (0.56) CCR5KCNH2
SCHEMBL4586815 0.89 CCR5 (0.49) CCR5
SCHEMBL13931532 0.86 CCR5 (0.70) CCR5KCNH2
SCHEMBL4249251 0.86 CCR5 (0.72) CCR5KCNH2
SCHEMBL4249257 0.86 CCR5 (0.72) CCR5KCNH2
SCHEMBL4605196 0.83 CCR5 (0.74) CCR5
SCHEMBL4240435 0.82 CCR5 (0.59) CCR5KCNH2
SCHEMBL4586987 0.82 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 disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed