SCHEMBL6927928

SCHEMBL6927928

CCN(CC)CCOc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.71
ABCB1 P08183 2/20 0.58
SETD7 Q8WTS6 1/20 0.58
ABCC1 P33527 1/20 0.57
HTR2C P28335 1/20 0.55
PLG P00747 1/20 0.54
PLAU P00749 1/20 0.54
PLAT P00750 1/20 0.54
KDR P35968 2/20 0.53
ALOX5 P09917 1/20 0.51

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
SCHEMBL6927364 0.91 MCHR1 (0.70) MCHR1ABCB1SETD7ABCC1HTR2C
SCHEMBL6927024 0.89 MCHR1 (0.66) MCHR1SETD7HTR2CALOX5
SCHEMBL6925692 0.87 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6925343 0.87 MCHR1 (0.77) MCHR1HTR2CPLGPLAUPLAT
SCHEMBL6921439 0.83 MCHR1 (0.78) MCHR1HTR2CKDR
SCHEMBL6927209 0.83 MCHR1 (0.78) MCHR1HTR2CKDR
SCHEMBL7913510 0.83 MCHR1 (0.66) MCHR1ABCB1HTR2CKDR
SCHEMBL6924093 0.82 MCHR1 (0.76) MCHR1HTR2CKDR
SCHEMBL6921907 0.81 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6926140 0.80 MCHR1 (0.72) MCHR1HTR2CKDR

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 4 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
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