SCHEMBL1759930

SCHEMBL1759930

NC1=N[C@@H](CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CO1.NC1=N[C@@H](CCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CO1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL1759932 1.00 TAAR1 (0.50) TAAR1
SCHEMBL1760141 0.95 TAAR1 (0.55) TAAR1
SCHEMBL1760144 0.95 TAAR1 (0.55) TAAR1
SCHEMBL502866 0.93
SCHEMBL502865 0.93
SCHEMBL1759971 0.93
SCHEMBL1759976 0.93
SCHEMBL1760278 0.90 TAAR1 (0.56) TAAR1
SCHEMBL1760277 0.90 TAAR1 (0.56) TAAR1
SCHEMBL1760115 0.89 TAAR1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP claimed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO claimed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed