SCHEMBL8205366

SCHEMBL8205366

CC[C@@H](CC1COC(N)=N1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 1.00
CYP2D6 P10635 1/20 1.00

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
SCHEMBL3606417 1.00 TAAR1 (1.00) TAAR1CYP2D6
SCHEMBL503518 1.00 TAAR1 (1.00) TAAR1CYP2D6
SCHEMBL503520 1.00 TAAR1 (1.00) TAAR1CYP2D6
SCHEMBL503519 1.00 TAAR1 (1.00) TAAR1CYP2D6
SCHEMBL8210735 1.00 TAAR1 (1.00) TAAR1CYP2D6
SCHEMBL7944726 0.87 TAAR1 (0.78) TAAR1CYP2D6
SCHEMBL1836160 0.87 TAAR1 (0.78) TAAR1CYP2D6
SCHEMBL3615272 0.86 TAAR1 (0.76) TAAR1CYP2D6
SCHEMBL3615269 0.86 TAAR1 (0.76) TAAR1CYP2D6
SCHEMBL3614459 0.86 TAAR1 (0.76) TAAR1CYP2D6

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-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed