SCHEMBL5205872

SCHEMBL5205872

CN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.56
CCR5 P51681 12/20 0.51
L3MBTL1 Q9Y468 1/20 0.39
CXCR3 P49682 3/20 0.38
CCR7 P32248 2/20 0.38
CXCR5 P32302 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6341093 0.91 CCR2 (0.54) CCR2CCR5L3MBTL1CXCR3CCR7
SCHEMBL6342872 0.91 CCR2 (0.55) CCR2CCR5L3MBTL1CXCR3CCR7
SCHEMBL6338718 0.90 CCR2 (0.54) CCR2CCR5L3MBTL1CXCR3CCR7
SCHEMBL5205055 0.90 CCR2 (0.54) CCR2CCR5L3MBTL1CXCR3CCR7
SCHEMBL6340937 0.89 CCR5 (0.54) CCR2CCR5L3MBTL1CXCR3CCR7
SCHEMBL6343748 0.88 CCR2 (0.52) CCR2CCR5L3MBTL1CXCR3CCR7
SCHEMBL5209291 0.88 CCR2 (0.64) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL5209524 0.88 CCR2 (0.73) CCR2CCR5CXCR3CCR7
SCHEMBL6349420 0.88 CCR2 (0.52) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL6347044 0.86 CCR2 (0.60) 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 7 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-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP 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