SCHEMBL7608561

SCHEMBL7608561

CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccc(F)cc2Cl)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
TP53 P04637 5/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MCHR1 Q99705 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 6/20 0.40
ACHE P22303 6/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL7613260 0.91 MAPT (0.44) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7615361 0.91 MCHR1 (0.51) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7615420 0.90 MAPT (0.45) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7612365 0.89 MAPT (0.54) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7622379 0.88 MAPT (0.43) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7608554 0.88 SLC2A1 (0.45) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7608558 0.88 SLC2A1 (0.45) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7612316 0.88 BCHE (0.48) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7609661 0.85 BCHE (0.47) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL7607926 0.85 BCHE (0.47) MAPTTP53ALDH1A1MEN1KMT2A

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 4 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