SCHEMBL14338965

SCHEMBL14338965

CCCC(=O)N1CCc2c(nc(C)n2[C@H]2CC(C)N(CC[C@H](NC(C)=O)c3cccc(F)c3)[C@@H](C)C2)C1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.87
▸ CCR5 P51681 12/20 0.71

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
SCHEMBL5148952 0.93 KCNH2 (1.00) KCNH2CCR5
SCHEMBL5148957 0.93 KCNH2 (1.00) KCNH2CCR5
SCHEMBL13178981 0.88 KCNH2 (0.90) KCNH2CCR5
SCHEMBL3079829 0.87 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3079826 0.87 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3070606 0.85 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3070604 0.85 KCNH2 (1.00) KCNH2CCR5
SCHEMBL2575130 0.84 KCNH2 (0.90) KCNH2CCR5
SCHEMBL2575126 0.84 KCNH2 (0.90) KCNH2CCR5
SCHEMBL3068338 0.84 KCNH2 (0.86) KCNH2CCR5

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-7309790-B2 Chemical compounds PFIZER INC (US) 2007-12-18 — — US disclosed
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