SCHEMBL6926348

SCHEMBL6926348

CCN(CC)CCOc1ccccc1NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.53
MCHR1 Q99705 6/20 0.53
CACNA1H O95180 3/20 0.50
CACNA1B Q00975 2/20 0.50
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.47
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
AHR P35869 1/20 0.46

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
SCHEMBL3500701 0.89 GAA (0.60) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6925417 0.87 GAA (0.58) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL31467958 0.85 GAA (0.70) GAAALDH1A1RAB9ANPC1MEN1
SCHEMBL7056986 0.85 CACNA1H (0.63) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6927791 0.85 GAA (0.59) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6898504 0.85 GAA (0.56) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6926051 0.85 MCHR1 (0.53) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6927664 0.84 MCHR1 (0.61) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6928305 0.81 MCHR1 (0.52) GAAALDH1A1MCHR1CACNA1HCACNA1B
SCHEMBL6926037 0.81 TSHR (0.55) GAAMCHR1RAB9AMAPTTSHR

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