SCHEMBL6926388

SCHEMBL6926388

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.73
MAPT P10636 4/20 0.72
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
MCL1 Q07820 2/20 0.72
HSD17B10 Q99714 2/20 0.72
TSHR P16473 1/20 0.72
RAB9A P51151 1/20 0.72
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
HTR2C P28335 1/20 0.52
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
THRB P10828 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6922691 0.87 MCHR1 (0.75) MCHR1MAPTKDM4EALDH1A1MCL1
SCHEMBL6922101 0.87 MCHR1 (0.75) MCHR1MAPTKDM4EALDH1A1MCL1
SCHEMBL6927755 0.87 MCHR1 (0.75) MCHR1MAPTKDM4EALDH1A1MCL1
SCHEMBL6807981 0.85 MCHR1 (0.83) MCHR1RAB9AHTR2CRXFP1
SCHEMBL6803781 0.85 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL6925940 0.84 MAPT (0.77) MCHR1MAPTKDM4EALDH1A1MCL1
SCHEMBL6801515 0.83 MCHR1 (0.80) MCHR1RAB9ALMNAHTR2CRXFP1
SCHEMBL6929018 0.83 MCHR1 (0.80) MCHR1MAPTKDM4EALDH1A1MCL1
SCHEMBL13394761 0.83 MAPT (0.79) MCHR1MAPTKDM4EALDH1A1MCL1
SCHEMBL6812487 0.80 MCHR1 (0.73) MCHR1MAPTLMNAHTR2CESR1

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