SCHEMBL7674740

SCHEMBL7674740

Cc1ccccc1-c1ccc2c(c1)C=C(C(=O)Nc1ccc(C[S+]([O-])C3CCCCC3)cc1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.53

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
SCHEMBL7674745 0.89 CCR5 (0.67) CCR5
SCHEMBL7674737 0.81 CCR5 (0.49) CCR5
SCHEMBL7675501 0.78 CCR5 (0.65) CCR5
SCHEMBL7681378 0.77 CCR5 (0.63) CCR5
SCHEMBL7222341 0.76 CCR5 (0.47) CCR5
SCHEMBL5206027 0.74 CCR5 (0.69) CCR5
SCHEMBL5208341 0.74 CCR5 (0.69) CCR5
SCHEMBL5208404 0.73 CCR5 (0.68) CCR5
SCHEMBL5208849 0.73 CCR2 (0.69) CCR5
SCHEMBL7685188 0.73 CCR5 (0.67) 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
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed