SCHEMBL8080452

SCHEMBL8080452

CCc1ccc(-c2ccc(F)cc2)cc1.CN[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MME P08473 5/20 0.42
GAA P10253 1/20 0.42
ACE2 Q9BYF1 4/20 0.41
CPA1 P15085 2/20 0.41
ADCY1 Q08828 1/20 0.40
FAAH O00519 1/20 0.40
RAB9A P51151 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL8066034 1.00 ACE (0.45) ACELMNAALDH1A1MAPTMEN1
SCHEMBL8073254 0.91 ACE (0.45) ACEMAPTMMEACE2CPA1
SCHEMBL8075736 0.89 GPR34 (0.45) ACEMMEGPR34MMP2MMP9
SCHEMBL8064541 0.85 DCLRE1B (0.39) ACEMMEACE2CPA1GPR34
SCHEMBL8075538 0.85 DCLRE1B (0.39) ACEMMEACE2CPA1GPR34
SCHEMBL8080420 0.82 SLC6A4 (0.46) ACELMNAALDH1A1MAPTKMT2A
SCHEMBL30118364 0.81 ALDH1A1 (0.52) ACEALDH1A1MMEACE2CPA1
SCHEMBL8079610 0.79 MMP2 (0.49) ACEMMEGPR34MMP2MMP9
SCHEMBL8075762 0.77 ACE (0.44) ACEMAPTMEN1KMT2AMME
SCHEMBL8075290 0.77 RARB (0.46) ACELMNAALDH1A1MAPTMEN1

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