SCHEMBL7939764

SCHEMBL7939764

CC(C)(C)CC(C(=O)O)N1CC(C=O)C(c2cccc(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.43

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
SCHEMBL7506432 1.00 CCR5 (0.43) CCR5
SCHEMBL7496801 1.00 CCR5 (0.43) CCR5
SCHEMBL7987268 0.90 CCR5 (0.44) CCR5
SCHEMBL7987267 0.90 CCR5 (0.44) CCR5
SCHEMBL7987269 0.90 CCR5 (0.44) CCR5
SCHEMBL7546571 0.84 CCR5 (0.47) CCR5
SCHEMBL7938395 0.84 CCR5 (0.47) CCR5
SCHEMBL7497805 0.84 CCR5 (0.47) CCR5
SCHEMBL7492200 0.83 CCR5 (0.54) CCR5
SCHEMBL7660606 0.83 CCR5 (0.54) 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-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed