SCHEMBL8202601

SCHEMBL8202601

NC1=N[C@@H](CCc2ccncc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
NOS1 P29475 8/20 0.39
NOS2 P35228 8/20 0.39
NOS3 P29474 6/20 0.39
KCNH3 Q9ULD8 1/20 0.34
AOC1 P19801 3/20 0.33
AOC3 Q16853 3/20 0.33

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
SCHEMBL3613070 0.77 TAAR1 (0.54)
SCHEMBL3613068 0.77 TAAR1 (0.54)
SCHEMBL15925898 0.71 NOS1 (0.48) NOS1NOS2NOS3
SCHEMBL30824586 0.69 LOXL2 (0.73) LOXL2KCNH3AOC1AOC3
SCHEMBL27140192 0.69 LOXL2 (0.73) LOXL2KCNH3AOC1AOC3
SCHEMBL19554810 0.69 LOXL2 (0.41) LOXL2KCNH3
SCHEMBL15925910 0.65 NOS1 (0.54) NOS1NOS2NOS3
SCHEMBL3878756 0.65 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3
SCHEMBL10284177 0.65 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3
SCHEMBL2090251 0.65 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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