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Sugi Predict / Compounds / SCHEMBL7732699

SCHEMBL7732699

SCHEMBL7732699

CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.64
▸ KCNH2 Q12809 1/20 0.59

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
SCHEMBL7732939 0.94 CCR5 (0.65) CCR5KCNH2
SCHEMBL7732933 0.94 CCR5 (0.65) CCR5KCNH2
SCHEMBL7723341 0.94 CCR5 (0.62) CCR5KCNH2
SCHEMBL7732693 0.92 CCR5 (0.61) CCR5KCNH2
SCHEMBL7731246 0.88 CCR5 (0.57) CCR5
SCHEMBL7731242 0.88 CCR5 (0.57) CCR5
SCHEMBL7723185 0.87 CCR5 (0.57) CCR5
SCHEMBL7732304 0.87 CCR5 (0.55) CCR5
SCHEMBL7723179 0.87 CCR5 (0.57) CCR5
SCHEMBL7732844 0.87 CCR5 (0.59) 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-6399619-B1 PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV MERCK & CO., INC. 2002-06-04 — — US disclosed