SCHEMBL652618

SCHEMBL652618

CC(=O)C1C=CC=C2Oc3ncccc3C(=CCCBr)C=C21

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL653305 0.90
SCHEMBL653836 0.85
SCHEMBL653496 0.83
SCHEMBL655963 0.83
SCHEMBL655643 0.83
SCHEMBL655442 0.83
SCHEMBL653921 0.82
SCHEMBL1275463 0.82
SCHEMBL655049 0.79
SCHEMBL654382 0.78 DRD2 (0.35)

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 EP disclosed
US-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-8394817-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-20080139602-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
EP-1669356-A1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-06-14 EP disclosed
EP-1562954-B1 CCR1 ANTAGONISTS FOR THE TREATMENT OF I.A. DEMYELINATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2006-05-03 EP disclosed
US-20050288319-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
US-20040106639-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS 2004-06-03 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed