SCHEMBL7765702

SCHEMBL7765702

OCc1ccccc1Oc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.64
SLC6A2 P23975 7/20 0.61
SLC6A4 P31645 6/20 0.61
SLC6A3 Q01959 6/20 0.61
RHEB Q15382 1/20 0.48
CHRM1 P11229 1/20 0.47
CAMK2A Q9UQM7 2/20 0.46
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5950358 0.87 SLC6A2 (0.50) CXCL8SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL6961972 0.84 CHRM1 (0.68) CXCL8SLC6A2SLC6A4SLC6A3CHRM1
Ethylene Glycol SCHEMBL3365161 0.83 CXCL8 (0.56) CXCL8SLC6A2SLC6A4SLC6A3RHEB
SCHEMBL11122864 0.81 SLC6A2 (0.50) CXCL8SLC6A2SLC6A4SLC6A3RHEB
SCHEMBL7769553 0.80 SLC6A2 (0.61) CXCL8SLC6A2SLC6A4SLC6A3RHEB
SCHEMBL9705386 0.80 SLC6A2 (0.61) CXCL8SLC6A2SLC6A4SLC6A3RHEB
SCHEMBL112757 0.80 SLC6A2 (0.61) CXCL8SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL11430105 0.80 SLC6A2 (0.66) CXCL8SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL1436765 0.80 HPGD (0.59) CXCL8SLC6A2SLC6A4SLC6A3RHEB
SCHEMBL11095518 0.78 HPGD (0.55) CXCL8SLC6A2SLC6A4SLC6A3RHEB

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
CN-1216052-C Anti-neurodegeneratively active 10-aminoaliphatyl-dibenz (b,f) oxepines NAVARTIS AG (CH) 2005-08-24 CN disclosed
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
US-5780501-A ADMINISTERING TO A MAMMAL NOVARTIS CORPORATION (US) 1998-07-14 US disclosed
US-5780500-A Anti-neurodegeneratively active 10-aminoaliphatyl-dibenzi b,f! oxepines NOVARTIS CORPORATION (US) 1998-07-14 US disclosed
CN-1137039-A Anti-neurodegeneratively active 10-aminoaliphatyl-dibenz (b,f) oxepines CIBA GEIGY AG (CH) 1996-12-04 CN disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP disclosed