SCHEMBL1760201

SCHEMBL1760201

NC1=N[C@@H](CCCCc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CO1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL1760041 0.92 TAAR1 (0.56) TAAR1
SCHEMBL1760308 0.92 TAAR1 (0.56) TAAR1
SCHEMBL1760115 0.89 TAAR1 (0.54) TAAR1
SCHEMBL1759751 0.89 TAAR1 (0.51) TAAR1
SCHEMBL1760187 0.83 TAAR1 (0.53) TAAR1
SCHEMBL1759934 0.83 GAA (0.54) TAAR1
SCHEMBL1759935 0.83 GAA (0.54) TAAR1
SCHEMBL1760190 0.83 TAAR1 (0.53) TAAR1
SCHEMBL1760263 0.82 TAAR1 (0.62) TAAR1
SCHEMBL1760264 0.82 TAAR1 (0.62) 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 6 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-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
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