SCHEMBL4753928

SCHEMBL4753928

CCOC(=O)n1nc(OCBr)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.50
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
ACHE P22303 3/20 0.43
BCHE P06276 2/20 0.43

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
SCHEMBL6852832 0.85 ELANE (0.53) ELANEF2PLAUACHE
SCHEMBL5109043 0.84 ELANE (0.48) ELANEF2PLAUACHEBCHE
SCHEMBL9467082 0.84 ELANE (0.48) ELANEF2PLAUACHEBCHE
SCHEMBL5120293 0.81 ELANE (0.56) ELANEF2PLAU
SCHEMBL9987666 0.80 ELANE (0.55) ELANEF2PLAU
SCHEMBL9646820 0.79 ELANE (0.45) ELANEF2PLAU
SCHEMBL9647806 0.79 ELANE (0.45) ELANEF2PLAUACHEBCHE
SCHEMBL5120296 0.79 ELANE (0.56) ELANEF2PLAU
SCHEMBL9647055 0.78 ELANE (0.43) ELANEF2PLAUACHEBCHE
SCHEMBL9647897 0.78 GABRA1 (0.51) ELANEF2PLAUACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed