SCHEMBL6922563

SCHEMBL6922563

CCN(CC)CCOc1ccc(NC(=O)c2cccc(I)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.72
MCHR1 Q99705 5/20 0.62
HRH3 Q9Y5N1 4/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADRB2 P07550 1/20 0.48

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
SCHEMBL6925696 0.90 THRB (0.62) KDRKMT2ATHRBALDH1A1LMNA
SCHEMBL6921757 0.87 KDR (0.73) KDRMCHR1HRH3MEN1KMT2A
SCHEMBL6924766 0.86 MCHR1 (0.74) KDRMCHR1HRH3NPC1ALDH1A1
SCHEMBL6925850 0.85 MCHR1 (0.67) KDRMCHR1MEN1KMT2ANPC1
SCHEMBL6808533 0.84 MEN1 (0.71) KDRMCHR1HRH3MEN1KMT2A
SCHEMBL6924829 0.84 MCHR1 (0.64) KDRMCHR1ALDH1A1
SCHEMBL6922557 0.82 KDR (0.50) KDRMCHR1MEN1KMT2ANPC1
SCHEMBL13683778 0.80 NPSR1 (0.63) KDRMCHR1HRH3KMT2ANPC1
SCHEMBL6807188 0.79 MCHR1 (0.71) KDRMCHR1HRH3MEN1KMT2A
SCHEMBL6925419 0.79 MCHR1 (0.74) KDRMCHR1HRH3MEN1KMT2A

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