SCHEMBL5209550

SCHEMBL5209550

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CC(C)O3)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.69
CCR5 P51681 17/20 0.54
CCR7 P32248 2/20 0.49
CXCR3 P49682 2/20 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
SCHEMBL5204168 0.88 CCR2 (0.65) CCR2CCR5CCR7CXCR3
SCHEMBL5205096 0.88 CCR2 (0.72) CCR2CCR5
SCHEMBL3026537 0.87 CCR2 (0.77) CCR2CCR5
SCHEMBL5203761 0.83 CCR2 (0.72) CCR2CCR5CCR7CXCR3
SCHEMBL5204966 0.82 CCR2 (1.00) CCR2CCR5CCR7CXCR3
SCHEMBL7684955 0.81 CCR2 (0.66) CCR2CCR5
SCHEMBL7616227 0.81 CCR2 (0.75) CCR2CCR5CCR7CXCR3
SCHEMBL5206745 0.81 CCR2 (0.75) CCR2CCR5CCR7CXCR3
SCHEMBL5209992 0.81 CCR2 (0.70) CCR2CCR5
SCHEMBL7928424 0.81 CCR2 (0.69) CCR2CCR5CCR7CXCR3

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