SCHEMBL5700147

SCHEMBL5700147

OC1CN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.76

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
SCHEMBL5700134 1.00 CCR5 (0.76) CCR5
SCHEMBL5699769 0.86 CCR5 (1.00) CCR5
SCHEMBL5699760 0.86 CCR5 (1.00) CCR5
SCHEMBL5699935 0.85 CCR5 (0.78) CCR5
SCHEMBL5699961 0.85 CCR5 (1.00) CCR5
SCHEMBL5700445 0.84 CCR5 (0.77) CCR5
SCHEMBL5699941 0.82 CCR5 (0.82) CCR5
SCHEMBL5699710 0.82 CCR5 (0.88) CCR5
SCHEMBL5699896 0.81 CCR5 (1.00) CCR5
SCHEMBL5700007 0.81 CCR5 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687268-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-09 EP claimed
WO-2005047249-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-26 WO claimed