SCHEMBL7772046

SCHEMBL7772046

C[C@@H](O)CC(Oc1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
LRRK2 Q5S007 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
FPR2 P25090 1/20 0.36
KCNA5 P22460 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36

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
SCHEMBL7773934 1.00 SLC6A4 (0.42) SLC6A4SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL8071527 0.89 CYP3A4 (0.49) SLC6A4LMNAL3MBTL1SLC6A2SLC6A3
SCHEMBL8186428 0.89 CYP3A4 (0.49) SLC6A4LMNAL3MBTL1SLC6A2SLC6A3
SCHEMBL8551523 0.88 CYP17A1 (0.47) SLC6A4SMN1; SMN2LMNAL3MBTL1SLC6A2
SCHEMBL8553152 0.86 KCNA5 (0.47) SLC6A4SMN1; SMN2LMNAL3MBTL1SLC6A2
SCHEMBL8552624 0.86 CYP19A1 (0.47) SMN1; SMN2KCNA5CYP3A4
SCHEMBL8109544 0.86 SMN1; SMN2 (0.44) SLC6A4SMN1; SMN2SLC6A2SLC6A3GAA
SCHEMBL8133883 0.84 CYP17A1 (0.40) SLC6A4SMN1; SMN2LMNAL3MBTL1SLC6A2
SCHEMBL24933823 0.83 SLC6A4 (0.43) SLC6A4SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL8120393 0.83 LMNA (0.47) SLC6A4SMN1; SMN2LMNATDP1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115401-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-1115706-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018730-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
WO-2000018731-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
EP-0984961-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
WO-1998043971-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-08 WO disclosed