SCHEMBL6926499

SCHEMBL6926499

COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.66
HTR2C P28335 1/20 0.66
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC2A1 P11166 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
SCHEMBL6928026 0.88 MCHR1 (0.76) MCHR1HTR2CSLC2A1
SCHEMBL7067789 0.88 MCHR1 (0.66) MCHR1HTR2CSLC2A1
SCHEMBL6920748 0.88 MCHR1 (0.71) MCHR1HTR2CNPC1RAB9A
SCHEMBL6926161 0.86 MCHR1 (0.76) MCHR1HTR2CNPC1RAB9A
SCHEMBL6604490 0.86 MCHR1 (0.64) MCHR1HTR2CKDM4EMEN1MAPT
SCHEMBL6569176 0.85 MCHR1 (0.72) MCHR1HTR2CSLC2A1
SCHEMBL6926745 0.85 MCHR1 (0.71) MCHR1HTR2CNPC1RAB9A
SCHEMBL6572097 0.85 MCHR1 (0.71) MCHR1HTR2CNPC1RAB9A
SCHEMBL6569338 0.85 MCHR1 (0.74) MCHR1HTR2CSLC2A1
SCHEMBL6925443 0.85 MCHR1 (0.81) MCHR1HTR2CSLC2A1

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 10 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
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-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