SCHEMBL4564013

SCHEMBL4564013

NC1=NC(CN(CC2COC(N)=N2)c2cccc(Cl)n2)CO1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.56

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
SCHEMBL4564010 1.00 TAAR1 (0.56) TAAR1
SCHEMBL2081578 0.94 TAAR1 (0.65) TAAR1
SCHEMBL2081587 0.94 TAAR1 (0.65) TAAR1
SCHEMBL2082099 0.73 TAAR1 (0.61) TAAR1
SCHEMBL2082102 0.73 TAAR1 (0.61) TAAR1
SCHEMBL2082026 0.72 TAAR1 (1.00) TAAR1
SCHEMBL2082029 0.72 TAAR1 (1.00) TAAR1
SCHEMBL2083198 0.71 TAAR1 (0.68) TAAR1
SCHEMBL2083197 0.71 TAAR1 (0.68) TAAR1
SCHEMBL2081702 0.70 TAAR1 (0.67) TAAR1

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-2121641-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-25 EP claimed
WO-2008098857-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO claimed