SCHEMBL7939751

SCHEMBL7939751

CCOc1ccc(Cc2cc(C3CCN(CC4CN([C@@H](C(=O)O)C(CC)CC)CC4c4cccc(F)c4)CC3)n(CC)n2)cc1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.90
KCNH2 Q12809 2/20 0.90

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
SCHEMBL7939747 1.00 CCR5 (0.90) CCR5KCNH2
SCHEMBL7550726 0.89 CCR5 (0.89) CCR5KCNH2
SCHEMBL7548287 0.89 CCR5 (0.89) CCR5KCNH2
SCHEMBL7548292 0.89 CCR5 (0.89) CCR5KCNH2
SCHEMBL7546100 0.87 CCR5 (1.00) CCR5KCNH2
SCHEMBL7553143 0.87 CCR5 (1.00) CCR5KCNH2
SCHEMBL7546107 0.87 CCR5 (1.00) CCR5KCNH2
SCHEMBL7545620 0.87 CCR5 (1.00) CCR5KCNH2
SCHEMBL7548923 0.87 CCR5 (1.00) CCR5KCNH2
SCHEMBL7545627 0.87 CCR5 (1.00) CCR5KCNH2

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