SCHEMBL3718682

SCHEMBL3718682

CON(C)C(=O)[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.54
BTK Q06187 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
DRD2 P14416 5/20 0.43
MALT1 Q9UDY8 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CTSK P43235 2/20 0.41
GPR88 Q9GZN0 1/20 0.41
CTSS P25774 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MMP1 P03956 1/20 0.40

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
SCHEMBL5807532 1.00 JAK3 (0.54) JAK3BTKMEN1KMT2AGAA
SCHEMBL7047961 0.93 JAK3 (0.51) JAK3BTKMEN1KMT2AGAA
SCHEMBL3720455 0.93 JAK3 (0.51) JAK3BTKMEN1KMT2AGAA
SCHEMBL3719532 0.86 JAK3 (0.47) JAK3BTKDRD2MALT1CKS1B
SCHEMBL6162860 0.86 JAK3 (0.47) JAK3BTKDRD2MALT1CKS1B
SCHEMBL7344378 0.84 MEN1 (0.62) MEN1KMT2AGAADRD2MALT1
SCHEMBL6494079 0.79 MEN1 (0.61) MEN1KMT2AGAADRD2MALT1
SCHEMBL6500581 0.79 MEN1 (0.61) MEN1KMT2AGAADRD2MALT1
SCHEMBL6491658 0.79 MEN1 (0.61) MEN1KMT2AGAADRD2MALT1
SCHEMBL19345924 0.78 JAK3 (0.63) JAK3BTKMAPT

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-2010139707-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-09 WO disclosed