SCHEMBL7984575

SCHEMBL7984575

C[SiH](C)O[C@H](C1CN(C(CC2CC2)C(=O)O)CC1c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 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
SCHEMBL7984581 1.00 CCR5 (0.51) CCR5
SCHEMBL7983082 0.96 CCR5 (0.49) CCR5
SCHEMBL7983088 0.96 CCR5 (0.49) CCR5
SCHEMBL7652217 0.87 CCR5 (0.48) CCR5
SCHEMBL7653015 0.87 CCR5 (0.48) CCR5
SCHEMBL7657434 0.83 CCR5 (0.46) CCR5
SCHEMBL7665731 0.83 CCR5 (0.46) CCR5
SCHEMBL7657419 0.83 CCR5 (0.46) CCR5
SCHEMBL7604519 0.80 CCR5 (0.37) CCR5
SCHEMBL7984976 0.79 CCR5 (0.38) 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