SCHEMBL6925931

SCHEMBL6925931

CC(C)N(CCOc1ccc(NC(=O)c2cccc(Br)c2)cc1)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.67
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
KDR P35968 2/20 0.56
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
THRB P10828 1/20 0.50
HTR2C P28335 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL6925850 0.87 MCHR1 (0.67) MCHR1NPC1KDRMEN1KMT2A
SCHEMBL6921757 0.86 KDR (0.73) MCHR1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL6922691 0.86 MCHR1 (0.75) MCHR1SMN1; SMN2RAB9AMAPTTP53
SCHEMBL6811436 0.85 MCHR1 (0.75) MCHR1NPC1CASP3SENP8SENP7
SCHEMBL6924013 0.84 MCHR1 (0.71) MCHR1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL12189684 0.81 NR1H4 (0.65) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL6922307 0.81 MCHR1 (0.54) MCHR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6803781 0.80 MCHR1 (1.00) MCHR1MEN1KMT2AHTR2C
SCHEMBL6807981 0.80 MCHR1 (0.83) MCHR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6922101 0.79 MCHR1 (0.75) MCHR1SMN1; SMN2NPC1RAB9AMAPT

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