SCHEMBL6929428

SCHEMBL6929428

COc1ccc(NC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.73
HTR2C P28335 1/20 0.73
SLC2A1 P11166 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
SCHEMBL6920225 0.90 MCHR1 (0.70) MCHR1HTR2C
SCHEMBL6923778 0.88 MCHR1 (0.78) MCHR1HTR2CSLC2A1
SCHEMBL6926340 0.88 MCHR1 (0.92) MCHR1HTR2CSLC2A1
SCHEMBL6924942 0.87 MCHR1 (0.75) MCHR1HTR2CSLC2A1
SCHEMBL6602562 0.87 MCHR1 (0.75) MCHR1HTR2CSLC2A1
SCHEMBL6572159 0.86 MCHR1 (0.74) MCHR1HTR2CSLC2A1
SCHEMBL6569338 0.86 MCHR1 (0.74) MCHR1HTR2CSLC2A1
SCHEMBL6917438 0.85 MCHR1 (0.70) MCHR1HTR2CSLC2A1
SCHEMBL6926161 0.85 MCHR1 (0.76) MCHR1HTR2C
SCHEMBL6926509 0.84 MCHR1 (1.00) 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 6 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
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