SCHEMBL5384481

SCHEMBL5384481

CC(C)C[C@H](C(=O)N1CCNC[C@@]1(C)c1ccc2occc2c1)[C@H](O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
FFAR2 O15552 1/20 0.32
CHRNA7 P36544 1/20 0.31
HTR1B P28222 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL5372203 0.82 GPR183 (0.35)
SCHEMBL5419543 0.82 ALDH1A1 (0.35) TAS1R3TAS1R1SLC6A4
SCHEMBL5316333 0.81 ADAM17 (0.38) SLC6A2SLC6A4
SCHEMBL5317625 0.81 MMP1 (0.34) SLC6A2SLC6A4
SCHEMBL5489951 0.80 TAS1R3 (0.36) TAS1R3TAS1R1SLC6A2SLC6A4DYRK1A
SCHEMBL5324832 0.80 HPGD (0.34)
SCHEMBL5322497 0.79 SLC6A2 (0.36) TAS1R3TAS1R1SLC6A2SLC6A4
SCHEMBL5318347 0.79 ALDH1A1 (0.35) SLC6A2SLC6A4
SCHEMBL5395845 0.78 MMP1 (0.35)
SCHEMBL5382483 0.77 NPC1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed