SCHEMBL8064468

SCHEMBL8064468

CCc1ccc(-c2ccc(F)cc2Cl)cc1CC.CN[C@@H](CS)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.36
GCGR P47871 3/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
APP P05067 1/20 0.35
P2RX7 Q99572 6/20 0.34
DCLRE1B Q9H816 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
SCN9A Q15858 1/20 0.34
CTSL P07711 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL8064698 0.90 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079616 0.90 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8075538 0.85 DCLRE1B (0.39) SLC1A3SLC1A2SLC1A1DCLRE1BMME
SCHEMBL8064541 0.85 DCLRE1B (0.39) SLC1A3SLC1A2SLC1A1DCLRE1BMME
SCHEMBL8072952 0.85 APP (0.40) CTSASLC1A3SLC1A2SLC1A1PSEN1
SCHEMBL8064602 0.85 APP (0.40) CTSASLC1A3SLC1A2SLC1A1PSEN1
SCHEMBL8075087 0.83 DCLRE1B (0.51) DCLRE1BMME
SCHEMBL8073879 0.83 DCLRE1B (0.51) DCLRE1BMME
SCHEMBL8075742 0.82 DCLRE1B (0.40) SLC1A3SLC1A2SLC1A1DCLRE1BCTSL
SCHEMBL8074144 0.81 ACMSD (0.40) CTSAPSEN1PSEN2APH1BNCSTN

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