SCHEMBL6922307

SCHEMBL6922307

CC(C)N(CCOc1ccccc1NC(=O)c1cccc(Br)c1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.54
HTR2C P28335 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL6926029 0.88 MCHR1 (0.55) MCHR1HTR2CMEN1TSHRKMT2A
SCHEMBL6921912 0.88 MCHR1 (0.54) MCHR1HTR2CSMN1; SMN2GAANPC1
SCHEMBL6926037 0.87 TSHR (0.55) MCHR1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL6897983 0.85 MCHR1 (0.71) MCHR1HTR2CMEN1TSHRKMT2A
SCHEMBL10144734 0.84 AKR1C2 (0.59) MEN1TSHRKMT2ASMN1; SMN2GAA
SCHEMBL6927041 0.82 MCHR1 (0.55) MCHR1HTR2CMEN1KMT2AGAA
SCHEMBL6925931 0.81 MCHR1 (0.67) MCHR1HTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL6924013 0.81 MCHR1 (0.71) MCHR1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL6927049 0.81 GAA (0.57) MCHR1HTR2CMEN1KMT2AGAA
SCHEMBL6926500 0.81 MCHR1 (0.69) MCHR1HTR2CGAA

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