SCHEMBL7972744

SCHEMBL7972744

O=C(O)C(CC1CC1)N1CC(CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)C(c2cccc(F)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00

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
SCHEMBL7972746 1.00 CCR5 (1.00) CCR5
SCHEMBL7972747 1.00 CCR5 (1.00) CCR5
SCHEMBL7984115 0.97 CCR5 (1.00) CCR5
SCHEMBL7984117 0.97 CCR5 (1.00) CCR5
SCHEMBL7984119 0.97 CCR5 (1.00) CCR5
SCHEMBL7984219 0.97 CCR5 (1.00) CCR5
SCHEMBL7983196 0.93 CCR5 (0.92) CCR5
SCHEMBL7983201 0.93 CCR5 (0.92) CCR5
SCHEMBL7983191 0.93 CCR5 (0.92) CCR5
SCHEMBL7986440 0.91 CCR5 (1.00) 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