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SCHEMBL4586981

SCHEMBL4586981

Cc1ncnc(C)c1C(=O)NC(C)CCN1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 17/20 0.49
▸ KCNH2 Q12809 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ PTGER4 P35408 1/20 0.39

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
SCHEMBL4587594 0.96 CCR5 (0.48) CCR5KCNH2DCUN1D1DRD2DRD3
SCHEMBL4586226 0.91 CCR5 (0.50) CCR5KCNH2DCUN1D1DRD2DRD3
SCHEMBL4587438 0.91 CCR5 (0.50) CCR5KCNH2DCUN1D1
SCHEMBL4586351 0.90 CCR5 (0.51) CCR5KCNH2
SCHEMBL4585956 0.89 CCR5 (0.49) CCR5KCNH2
SCHEMBL4586733 0.88 CCR5 (0.49) CCR5KCNH2
SCHEMBL4586504 0.86 CCR5 (0.56) CCR5DRD2DRD3
SCHEMBL4586245 0.85 CCR5 (0.42) CCR5
SCHEMBL4585482 0.84 CCR5 (0.51) CCR5KCNH2DCUN1D1DRD2DRD3
SCHEMBL4243037 0.84 CCR5 (0.70) 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