SCHEMBL5204027

SCHEMBL5204027

CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCC5)cc4)ccc3OCC2)cc1)C1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.65
CCR5 P51681 17/20 0.58

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
SCHEMBL5208303 0.99 CCR2 (0.64) CCR2CCR5
SCHEMBL3026568 0.96 CCR2 (0.63) CCR2CCR5
SCHEMBL5209624 0.94 CCR2 (0.63) CCR2CCR5
SCHEMBL5210238 0.91 CCR2 (0.55) CCR2CCR5
SCHEMBL5208241 0.90 CCR2 (0.67) CCR2CCR5
SCHEMBL5241768 0.90 CCR2 (0.67) CCR2CCR5
SCHEMBL3026537 0.90 CCR2 (0.77) CCR2CCR5
SCHEMBL7682451 0.89 CCR2 (0.66) CCR2CCR5
SCHEMBL5209195 0.89 CCR2 (0.66) CCR2CCR5
SCHEMBL5240554 0.88 CCR2 (0.82) CCR2CCR5

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