SCHEMBL5212440

SCHEMBL5212440

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C(S)c4ccccc4)cc2)CCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.63

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
SCHEMBL5209854 0.83 CCR5 (0.68) CCR5
SCHEMBL5206431 0.83 CCR5 (0.67) CCR5
SCHEMBL7681376 0.83 CCR5 (0.60) CCR5
SCHEMBL5209882 0.83 CCR5 (0.67) CCR5
SCHEMBL5209742 0.83 CCR5 (0.58) CCR5
SCHEMBL5244626 0.82 CCR5 (0.66) CCR5
SCHEMBL5209427 0.82 CCR5 (0.74) CCR5
SCHEMBL7685262 0.81 CCR5 (0.61) CCR5
SCHEMBL7682497 0.81 CCR5 (0.57) CCR5
SCHEMBL5212434 0.81 CCR5 (0.65) 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 3 patents. 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 disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed