SCHEMBL6925940

SCHEMBL6925940

CCN(CC)CCOc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.77
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 3/20 0.77
MCL1 Q07820 2/20 0.77
HSD17B10 Q99714 2/20 0.77
RAB9A P51151 2/20 0.77
TSHR P16473 1/20 0.77
MCHR1 Q99705 5/20 0.73
KDR P35968 1/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 2/20 0.60
HRH3 Q9Y5N1 3/20 0.54
PTGES O14684 1/20 0.53
THRB P10828 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6924766 0.86 MCHR1 (0.74) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6925419 0.86 MCHR1 (0.74) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6926388 0.84 MCHR1 (0.73) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6921877 0.84 MCHR1 (0.71) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6807188 0.84 MCHR1 (0.71) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL13394761 0.84 MAPT (0.79) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6921824 0.83 MCHR1 (0.81) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6808491 0.82 MCHR1 (0.69) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6928256 0.82 MCHR1 (0.70) MAPTKDM4EALDH1A1MCL1HSD17B10
SCHEMBL6807586 0.80 MCHR1 (0.65) MAPTKDM4EALDH1A1MCL1HSD17B10

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