SCHEMBL30227516

SCHEMBL30227516

Cc1ncnc(C)c1C(=O)N1CC2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(Cl)c3)CC2C1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.68

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
SCHEMBL30227416 0.91 CCR5 (0.80) CCR5
SCHEMBL14434347 0.89 CCR5 (0.81) CCR5
SCHEMBL13326712 0.84 CCR5 (0.81) CCR5
SCHEMBL5237789 0.84 CCR5 (0.81) CCR5
SCHEMBL13326700 0.82 CCR5 (0.82) CCR5
SCHEMBL5422017 0.82 CCR5 (0.82) CCR5
SCHEMBL4692228 0.79 CCR5 (0.77) CCR5
SCHEMBL5233184 0.79 CCR5 (1.00) CCR5
SCHEMBL13326706 0.79 CCR5 (1.00) CCR5
SCHEMBL5418329 0.79 CCR5 (1.00) 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
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