SCHEMBL6928256

SCHEMBL6928256

CCN(CC)CCOc1cc(NC(=O)c2ccc(N(C)C)cc2)ccc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.70
USP2 O75604 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
MCL1 Q07820 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
HTR2C P28335 1/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
GFER P55789 1/20 0.52
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL6926140 0.89 MCHR1 (0.72) MCHR1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6925370 0.88 MCHR1 (0.71) MCHR1ALDH1A1MAPTRAB9AHTR2C
SCHEMBL6923988 0.88 MCHR1 (0.71) MCHR1ALDH1A1RAB9AHTR2CTP53
SCHEMBL6921439 0.86 MCHR1 (0.78) MCHR1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6925692 0.86 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6927209 0.86 MCHR1 (0.78) MCHR1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6924093 0.85 MCHR1 (0.76) MCHR1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6897973 0.85 MCHR1 (0.75) MCHR1ALDH1A1RAB9AHTR2CTP53
SCHEMBL6927024 0.85 MCHR1 (0.66) MCHR1ALDH1A1MAPTHTR2CLMNA
SCHEMBL6895300 0.83 MCHR1 (0.64) MCHR1USP2ALDH1A1RAB9AHTR2C

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 7 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
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