SCHEMBL6927883

SCHEMBL6927883

CCc1ccc(-c2ccc(C(=O)Nc3ccccc3OCCN(C(C)C)C(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.58
HTR2C P28335 1/20 0.57
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL6926500 0.91 MCHR1 (0.69) MCHR1HTR2CGAA
SCHEMBL6898482 0.87 MCHR1 (0.68) MCHR1HTR2CGAAALDH1A1
SCHEMBL6927664 0.87 MCHR1 (0.61) MCHR1GAAALDH1A1POLB
SCHEMBL6927041 0.85 MCHR1 (0.55) MCHR1HTR2CGAAALDH1A1
SCHEMBL6921912 0.84 MCHR1 (0.54) MCHR1HTR2CGAAALDH1A1
SCHEMBL6927049 0.84 GAA (0.57) MCHR1HTR2CGAAALDH1A1
SCHEMBL6926051 0.84 MCHR1 (0.53) MCHR1HTR2CGAAALDH1A1
SCHEMBL6900340 0.83 MCHR1 (0.68) MCHR1HTR2CGAAALDH1A1
SCHEMBL6926100 0.81 MCHR1 (0.64) MCHR1HTR2C
SCHEMBL6929018 0.81 MCHR1 (0.80) MCHR1HTR2CALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US claimed
JP-2002511879-A 2002-04-16 JP claimed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP claimed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed