SCHEMBL7605745

SCHEMBL7605745

COc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.73
HDAC1 Q13547 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC4 P56524 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
TRPV1 Q8NER1 1/20 0.53
BCHE P06276 4/20 0.52
ACHE P22303 3/20 0.52
MCHR1 Q99705 7/20 0.51
HTR2C P28335 1/20 0.51
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL7605747 1.00 SLC2A1 (0.73) SLC2A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7655078 0.90 SLC2A1 (0.73) SLC2A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7618033 0.90 SLC2A1 (0.73) SLC2A1HDAC1TRPV1BCHEACHE
SCHEMBL7655086 0.90 SLC2A1 (0.73) SLC2A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7615429 0.90 SLC2A1 (0.73) SLC2A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7615423 0.90 SLC2A1 (0.73) SLC2A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7651286 0.90 SLC2A1 (0.73) SLC2A1HDAC1TRPV1BCHEACHE
SCHEMBL7613669 0.90 SLC2A1 (0.81) SLC2A1BCHEACHEMCHR1HTR2C
SCHEMBL7613674 0.90 SLC2A1 (0.81) SLC2A1BCHEACHEMCHR1HTR2C
SCHEMBL7613686 0.90 SLC2A1 (0.61) SLC2A1MCHR1HTR2CMAPT

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