SCHEMBL5210707

SCHEMBL5210707

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00

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
Iodide SCHEMBL3028733 0.99 CCR5 (1.00) CCR5
SCHEMBL5210008 0.95 CCR5 (1.00) CCR5
Iodide SCHEMBL3037246 0.94 CCR5 (1.00) CCR5
SCHEMBL15996742 0.93 CCR5 (1.00) CCR5
Iodide SCHEMBL5209709 0.92 CCR5 (1.00) CCR5
Iodide SCHEMBL7682552 0.92 CCR5 (0.98) CCR5
Iodide SCHEMBL5209261 0.92 CCR5 (0.86) CCR5
Iodide SCHEMBL5205239 0.92 CCR5 (1.00) CCR5
Iodide SCHEMBL7683572 0.91 CCR5 (0.84) CCR5
Iodide SCHEMBL5209565 0.91 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-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP claimed