SCHEMBL3683597

SCHEMBL3683597

COc1cccc(NC(=O)c2ccc(N3CCC(C#N)CC3)c(C(F)(F)F)c2)c1.COc1cccc(NC(=O)c2ccc(N3CCCCCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.66
S1PR1 P21453 1/20 0.49

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
SCHEMBL3645852 0.97 TAAR1 (0.62) TAAR1
SCHEMBL3683667 0.93 TAAR1 (0.58) TAAR1
SCHEMBL3642495 0.90 TAAR1 (0.79) TAAR1S1PR1
SCHEMBL3645668 0.90 TAAR1 (0.79) TAAR1S1PR1
SCHEMBL4247984 0.89 TAAR1 (0.80) TAAR1
SCHEMBL3645506 0.88 TAAR1 (0.77) TAAR1
SCHEMBL3641066 0.87 TAAR1 (0.70) TAAR1
SCHEMBL3645068 0.85 TAAR1 (0.65) TAAR1
SCHEMBL3679927 0.82 TAAR1 (0.72) TAAR1
SCHEMBL4254287 0.82 TAAR1 (0.68) 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-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO claimed
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed