SCHEMBL7676969

SCHEMBL7676969

COc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.63
CCR5 P51681 16/20 0.47
CXCR3 P49682 3/20 0.44
CCR7 P32248 2/20 0.44
CXCR5 P32302 1/20 0.44

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
SCHEMBL7922056 0.92 CCR2 (0.61) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7675704 0.91 CCR2 (0.52) CCR2CCR5CXCR3CCR7
SCHEMBL7616227 0.91 CCR2 (0.75) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5242734 0.90 CCR2 (0.52) CCR2CCR5CXCR3CCR7
SCHEMBL5206259 0.88 CCR2 (0.62) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5206741 0.87 CCR2 (0.60) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7972718 0.85 CCR2 (0.61) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5203761 0.83 CCR2 (0.72) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7928424 0.79 CCR2 (0.69) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3034760 0.79 CCR5 (0.73) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed