SCHEMBL6924167

SCHEMBL6924167

CN(C)CCCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.71
KDR P35968 1/20 0.67
LSS P48449 1/20 0.66
CACNA1H O95180 3/20 0.64
CACNA1B Q00975 2/20 0.64
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
MCL1 Q07820 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LTA4H P09960 1/20 0.55
CHRNB2 P17787 2/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX12 P18054 1/20 0.54

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
SCHEMBL6921976 0.94 MCHR1 (0.77) MCHR1KDRLSSCACNA1HCACNA1B
SCHEMBL6928025 0.87 MAOB (0.66) MCHR1KDRLSSCACNA1HCACNA1B
SCHEMBL6803781 0.83 MCHR1 (1.00) MCHR1MEN1KMT2A
SCHEMBL10679594 0.81 LSS (1.00) LSSCACNA1BKDM4EALDH1A1LTA4H
SCHEMBL6920369 0.81 MCHR1 (0.68) MCHR1MAPTRAB9AMCL1MEN1
SCHEMBL6924993 0.81 CACNA1H (0.70) MCHR1LSSCACNA1HCACNA1BKDM4E
SCHEMBL5582704 0.80 MCHR1 (0.70) MCHR1KDM4EMAPTRAB9AMEN1
SCHEMBL15537028 0.79 NR1H4 (0.65) MCHR1KDM4EALDH1A1MAPTTSHR
SCHEMBL4257510 0.79 NR1H4 (0.76) KDM4EALDH1A1MAPTTSHRRAB9A
SCHEMBL8494302 0.79 SERPINE1 (0.56) MCHR1KDRCACNA1HCACNA1BCHRNB2

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 13 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
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
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
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