SCHEMBL8073803

SCHEMBL8073803

CCc1ccc(-c2ccc(F)c(F)c2)cc1CC.CN[C@@H](CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
MME P08473 4/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTGER2 P43116 2/20 0.36
DCLRE1B Q9H816 3/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ACE P12821 2/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
GRIN2B Q13224 1/20 0.33
DCLRE1A Q6PJP8 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGS2 P35354 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
SCHEMBL8078295 1.00 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1MMEAKR1C3
SCHEMBL8075538 0.89 DCLRE1B (0.39) SLC1A3SLC1A2SLC1A1MMEDCLRE1B
SCHEMBL8064541 0.89 DCLRE1B (0.39) SLC1A3SLC1A2SLC1A1MMEDCLRE1B
SCHEMBL8075742 0.88 DCLRE1B (0.40) SLC1A3SLC1A2SLC1A1MMEDCLRE1B
SCHEMBL8075087 0.86 DCLRE1B (0.51) MMEPTGER2DCLRE1BESR2PTGS2
SCHEMBL8073879 0.86 DCLRE1B (0.51) MMEPTGER2DCLRE1BESR2PTGS2
SCHEMBL8078431 0.85 TTR (0.38) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2
SCHEMBL8079616 0.84 MEN1 (0.42) MMEAKR1C3AKR1C2ACECPA1
SCHEMBL8075216 0.84 ACMSD (0.40) AKR1C3AKR1C2PTGS2
SCHEMBL8074144 0.84 ACMSD (0.40) AKR1C3AKR1C2PTGS2

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
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