SCHEMBL6927964

SCHEMBL6927964

COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.69
HTR2C P28335 1/20 0.69
SLC2A1 P11166 1/20 0.58
HTT P42858 1/20 0.57
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL6930454 0.87 MCHR1 (0.81) MCHR1HTR2CSLC2A1POLB
SCHEMBL6926020 0.87 MCHR1 (0.80) MCHR1HTR2CSLC2A1
SCHEMBL6926340 0.86 MCHR1 (0.92) MCHR1HTR2CSLC2A1
SCHEMBL7670306 0.86 MCHR1 (0.77) MCHR1HTR2CSLC2A1
SCHEMBL6925443 0.86 MCHR1 (0.81) MCHR1HTR2CSLC2A1
SCHEMBL6569200 0.85 MCHR1 (0.80) MCHR1HTR2CSLC2A1
SCHEMBL7646363 0.85 MCHR1 (0.93) MCHR1HTR2CSLC2A1KDM4E
SCHEMBL6928749 0.85 MCHR1 (0.52) MCHR1HTR2CHTTGAAPOLB
SCHEMBL6927129 0.84 MCHR1 (0.93) MCHR1HTR2CSLC2A1POLB
SCHEMBL6923388 0.84 MCHR1 (0.75) MCHR1HTR2CSLC2A1

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