SCHEMBL5203761

SCHEMBL5203761

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CS3)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.72
CCR5 P51681 14/20 0.51
CXCR3 P49682 3/20 0.51
CCR7 P32248 2/20 0.51
HDAC1 Q13547 1/20 0.43
CXCR5 P32302 1/20 0.43

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
SCHEMBL7616227 0.92 CCR2 (0.75) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5276399 0.91 CCR2 (0.59) CCR2CCR5CXCR3CCR7
SCHEMBL7928424 0.89 CCR2 (0.69) CCR2CCR5CXCR3CCR7HDAC1
SCHEMBL5205096 0.85 CCR2 (0.72) CCR2CCR5
SCHEMBL3026537 0.84 CCR2 (0.77) CCR2CCR5
SCHEMBL5204966 0.84 CCR2 (1.00) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5206745 0.83 CCR2 (0.75) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7676969 0.83 CCR2 (0.63) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5209550 0.83 CCR2 (0.69) CCR2CCR5CXCR3CCR7
SCHEMBL5206259 0.82 CCR2 (0.62) CCR2CCR5CXCR3CCR7CXCR5

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 9 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
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed