SCHEMBL5204899

SCHEMBL5204899

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)CCCO)cc2)CCC3)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.68
CCR5 P51681 18/20 0.64
CXCR3 P49682 3/20 0.59
CCR7 P32248 2/20 0.59
CXCR5 P32302 1/20 0.50

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
SCHEMBL7682049 0.86 CCR2 (0.51) CCR2CCR5CXCR3CCR7
SCHEMBL5209313 0.86 CCR5 (0.74) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5210643 0.85 CCR5 (0.71) CCR2CCR5
SCHEMBL7625283 0.84 CCR2 (0.68) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL15095777 0.84 CCR5 (0.74) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5209806 0.83 CCR5 (0.64) CCR2CCR5CXCR3CCR7
SCHEMBL5210198 0.83 CCR5 (0.73) CCR2CCR5CXCR3CCR7CXCR5
Iodide SCHEMBL5209993 0.82 CCR5 (0.73) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5324850 0.81 CCR2 (0.82) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5204966 0.81 CCR2 (1.00) 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-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 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
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed