SCHEMBL6188908

SCHEMBL6188908

Cc1ccc(C#N)c(SCC[C@H](N)C(O)c2ccno2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC6A4 P31645 4/20 0.41
NOS2 P35228 4/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 7/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 7/20 0.38
HPGD P15428 4/20 0.37

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
SCHEMBL6286308 0.82 L3MBTL1 (0.43) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6186905 0.80 CYP2D6 (0.40) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6050230 0.74 SLC6A4 (0.66) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6188903 0.73 SLC6A4 (0.47) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6050432 0.72 SLC6A4 (0.57) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6284884 0.70 CYP2D6 (0.43) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6285601 0.69 CYP2D6 (0.42) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6186145 0.67 SLC6A4 (0.59) SLC6A4NOS2
SCHEMBL6645849 0.67 L3MBTL1 (0.45) TDP1L3MBTL1SLC6A4NOS2CYP2D6
SCHEMBL6050529 0.66 SLC6A4 (0.46) TDP1L3MBTL1SLC6A4NOS2CYP2D6

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-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP claimed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO claimed
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO disclosed