SCHEMBL30227339

SCHEMBL30227339

COC(=O)N1CCc2nc(C)n(C3CC4CCC(C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 1.00
▸ KCNH2 Q12809 8/20 0.89

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
SCHEMBL1198672 1.00 CCR5 (1.00) CCR5KCNH2
SCHEMBL1198671 1.00 CCR5 (1.00) CCR5KCNH2
SCHEMBL13719481 0.95 CCR5 (0.91) CCR5KCNH2
SCHEMBL5632676 0.95 CCR5 (1.00) CCR5KCNH2
SCHEMBL4015700 0.95 CCR5 (1.00) CCR5KCNH2
SCHEMBL1080663 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL1198749 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL30227220 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL13719329 0.94 CCR5 (0.88) CCR5KCNH2
Water SCHEMBL4012865 0.94 KCNH2 (0.99) 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
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 — — EP disclosed
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