SCHEMBL7605980

SCHEMBL7605980

COc1ccc(NC(=O)C=Cc2c(F)cccc2Cl)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 6/20 0.47
SLC2A1 P11166 1/20 0.46
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
GCGR P47871 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
SCHEMBL7605978 1.00 BCHE (0.58) BCHESMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL7606643 0.94 SLC2A1 (0.49) BCHESMN1; SMN2KMT2ASLC2A1MEN1
SCHEMBL7616826 0.94 MAPT (0.50) BCHESMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL7606649 0.94 SLC2A1 (0.49) BCHESMN1; SMN2KMT2ASLC2A1MEN1
SCHEMBL7616830 0.94 MAPT (0.50) BCHESMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL7605982 0.88 BCHE (0.58) BCHESMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL7612356 0.86 MAPT (0.52) SMN1; SMN2RAB9AKMT2ASLC2A1MEN1
SCHEMBL7612359 0.86 MAPT (0.52) SMN1; SMN2RAB9AKMT2ASLC2A1MEN1
SCHEMBL7609061 0.85 BCHE (0.62) BCHESMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL7609057 0.85 BCHE (0.62) BCHESMN1; SMN2RAB9AHPGDKMT2A

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