SCHEMBL5204993

SCHEMBL5204993

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CNCCC4CCN(Cc5ccccc5)CC4)cc2)CCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.56
CHRM4 P08173 1/20 0.49

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
SCHEMBL7222422 0.87 CHRM4 (0.62) CCR5CHRM4
SCHEMBL5209854 0.86 CCR5 (0.68) CCR5
SCHEMBL5204987 0.83 CCR5 (0.57) CCR5
SCHEMBL7222389 0.83 ACHE (0.54) CCR5CHRM4
SCHEMBL5209605 0.82 CCR5 (0.71) CCR5
SCHEMBL5208404 0.80 CCR5 (0.68) CCR5
SCHEMBL5206431 0.80 CCR5 (0.67) CCR5
SCHEMBL7675501 0.79 CCR5 (0.65) CCR5
SCHEMBL5209882 0.78 CCR5 (0.67) CCR5
SCHEMBL5244626 0.78 CCR5 (0.66) 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 5 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-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed