SCHEMBL7606770

SCHEMBL7606770

COc1ccc(NC(=O)C=Cc2cc3ccccc3s2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.61
MCHR1 Q99705 13/20 0.51
HTR2C P28335 1/20 0.51
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43

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
SCHEMBL7606768 1.00 SLC2A1 (0.61) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7606776 0.88 BCHE (0.51) SLC2A1MCHR1BCHEACHEKDM4E
SCHEMBL7618386 0.85 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7618392 0.85 SLC2A1 (0.64) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7610720 0.84 SLC2A1 (0.61) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7610715 0.84 SLC2A1 (0.61) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7613674 0.84 SLC2A1 (0.81) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7613669 0.84 SLC2A1 (0.81) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7642371 0.83 SLC2A1 (0.62) SLC2A1MCHR1HTR2CBCHEACHE
SCHEMBL7642377 0.83 SLC2A1 (0.62) SLC2A1MCHR1HTR2CBCHEACHE

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
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP claimed
JP-2002521441-A 2002-07-16 JP claimed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed