SCHEMBL7987329

SCHEMBL7987329

C[C@H](C(=O)O)N1CC(CO[Si](C)(C)C(C)(C)C)C(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.46
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL7987323 1.00 CCR5 (0.46) CCR5HRH3
SCHEMBL7984014 0.89 CCR5 (0.51) CCR5
SCHEMBL7501406 0.89 CCR5 (0.51) CCR5
SCHEMBL7496892 0.87 CCR5 (0.46) CCR5
SCHEMBL7494410 0.84 CCR5 (0.52) CCR5
SCHEMBL7982899 0.83 CCR5 (0.53) CCR5
SCHEMBL7500032 0.83 CCR5 (0.53) CCR5
SCHEMBL4093859 0.82 CCR5 (0.39) CCR5
SCHEMBL4111698 0.82 CCR5 (0.39) CCR5
SCHEMBL7488556 0.82 CCR5 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed