Sugi Predict

Sugi Predict / Compounds / SCHEMBL3527357

SCHEMBL3527357

SCHEMBL3527357

COC(=O)c1cccc(C(=O)N2CCC(CCN3[C@@H]4CC[C@H]3CC(n3c(C)nc5ccccc53)C4)(c3ccc(C)cc3)CC2)c1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.92
▸ CCR5 P51681 12/20 0.77

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
SCHEMBL13543916 1.00 KCNH2 (0.92) KCNH2CCR5
SCHEMBL3524678 0.96 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3529686 0.94 KCNH2 (0.88) KCNH2CCR5
SCHEMBL13543914 0.94 KCNH2 (0.88) KCNH2CCR5
SCHEMBL13543931 0.94 KCNH2 (0.90) KCNH2CCR5
Hydrochloric Acid SCHEMBL3525814 0.93 KCNH2 (0.89) KCNH2CCR5
SCHEMBL13543913 0.92 KCNH2 (0.93) KCNH2CCR5
SCHEMBL3527011 0.92 KCNH2 (0.93) KCNH2CCR5
SCHEMBL13545025 0.91 KCNH2 (0.88) KCNH2CCR5
SCHEMBL3527241 0.91 KCNH2 (0.88) 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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed