SCHEMBL8656349

SCHEMBL8656349

CC(=O)NC[C@H]1C=C(c2ccc(N3CCSCC3)cc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 3/20 0.47
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
CALML3 P27482 1/20 0.37
SDHA P31040 1/20 0.37
F10 P00742 2/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MTNR1A P48039 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MTOR P42345 3/20 0.33
PIK3CA P42336 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 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
SCHEMBL13855694 0.89 GFER (0.44) MAOAMAOBCYP2C19LMNAPTGS1
SCHEMBL8656943 0.89 LMNA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8643569 0.87 CTSL (0.39) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8658709 0.84 MAPT (0.44) ALDH1A1MAPTKMT2A
SCHEMBL8655270 0.84 ALDH1A1 (0.48) MAOAMAOBCYP2C19LMNAPTGS1
SCHEMBL8657602 0.84 AKR1C3 (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8656106 0.84 MAOA (0.58) MAOAMAOBCYP2C19LMNAPTGS1
SCHEMBL8656553 0.83 HTR2A (0.47) ALDH1A1MAPTDRD4
SCHEMBL8642619 0.82 ALDH1A1 (0.38) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8654828 0.82 ALDH1A1 (0.38) MAOAMAOBLMNAPTGS1CALML3

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-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP disclosed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 WO disclosed