SCHEMBL6928006

SCHEMBL6928006

COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(CCCN(C(C)C)C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.61
HTR2C P28335 1/20 0.52
TRPV1 Q8NER1 1/20 0.49
HDAC2 Q92769 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
F10 P00742 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL6924978 0.85 MCHR1 (0.65) MCHR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL6922227 0.82 MCHR1 (0.72) MCHR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL6928002 0.80 MCHR1 (0.71) MCHR1HTR2C
SCHEMBL6807123 0.75 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6901296 0.74 MCHR1 (0.72) MCHR1HTR2C
SCHEMBL6896350 0.72 MCHR1 (0.60) MCHR1HTR2C
SCHEMBL6924976 0.72 MCHR1 (0.83) MCHR1HTR2C
SCHEMBL6926500 0.71 MCHR1 (0.69) MCHR1HTR2C
SCHEMBL6803781 0.71 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL6898060 0.71 MCHR1 (0.72) MCHR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
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
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed