SCHEMBL8075742

SCHEMBL8075742

CCc1ccc(-c2cc(F)cc(F)c2)cc1CC.CN[C@@H](CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 2/20 0.40
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CYP1A2 P05177 1/20 0.34
GSK3B P49841 1/20 0.34
ACE P12821 4/20 0.33
DCLRE1A Q6PJP8 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MME P08473 2/20 0.33
CPA1 P15085 2/20 0.33
ACE2 Q9BYF1 2/20 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
SCHEMBL8075087 0.91 DCLRE1B (0.51) DCLRE1BMMP1MMP2MMP3MMP7
SCHEMBL8073879 0.91 DCLRE1B (0.51) DCLRE1BMMP1MMP2MMP3MMP7
SCHEMBL8075538 0.91 DCLRE1B (0.39) DCLRE1BSLC1A3SLC1A2SLC1A1ACE
SCHEMBL8064541 0.91 DCLRE1B (0.39) DCLRE1BSLC1A3SLC1A2SLC1A1ACE
SCHEMBL8073803 0.88 SLC1A3 (0.39) DCLRE1BSLC1A3SLC1A2SLC1A1ACE
SCHEMBL8078295 0.88 SLC1A3 (0.39) DCLRE1BSLC1A3SLC1A2SLC1A1ACE
SCHEMBL8064698 0.84 MEN1 (0.42) CYP1A2ACEMMECPA1ACE2
SCHEMBL8079616 0.84 MEN1 (0.42) CYP1A2ACEMMECPA1ACE2
SCHEMBL8074686 0.83 PSEN1 (0.42) SLC1A3SLC1A2SLC1A1GSK3BACE
SCHEMBL8078431 0.83 TTR (0.38) DCLRE1BSLC1A3SLC1A2SLC1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO claimed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO disclosed