SCHEMBL5249241

SCHEMBL5249241

O=C(CCC(=O)NCc1ncc[nH]1)NO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.52
TBXAS1 P24557 2/20 0.43
NTRK1 P04629 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
FDPS P14324 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ROCK2 O75116 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4141453 0.80 FPR2 (0.51) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL6030469 0.80 FPR2 (0.51) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL29145873 0.80 FPR2 (0.51) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL6029787 0.80 FPR2 (0.51) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL6029789 0.80 FPR2 (0.51) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL13485749 0.78 GAA (0.47) FPR2TBXAS1TAAR1FDPSGAA
SCHEMBL6451096 0.78 FPR2 (0.55) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL14387401 0.76 FPR2 (0.48) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL5630316 0.76 FPR2 (0.54) FPR2TBXAS1NTRK1TAAR1KLK1
SCHEMBL1258259 0.76 FPR2 (0.54) FPR2TBXAS1NTRK1TAAR1KLK1

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
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP disclosed