SCHEMBL27620501

SCHEMBL27620501

CC(N)(CCC1CCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.47
ARG1 P05089 1/20 0.43
ARG2 P78540 1/20 0.43
GRM2 Q14416 3/20 0.37
GRM3 Q14832 2/20 0.37
ALOX5 P09917 1/20 0.34
BLM P54132 2/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL27620442 0.96 GGT1 (0.47) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27620522 0.94 GGT1 (0.46) GGT1ARG1ARG2GRM2GRM3
SCHEMBL4335456 0.92 GGT1 (0.50) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27602074 0.92 GGT1 (0.50) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27699325 0.82 GRM2 (0.45) GGT1ARG1ARG2GRM2GRM3
SCHEMBL1815679 0.82 GRM2 (0.45) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27620489 0.81 GGT1 (0.39) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27601866 0.79 GGT1 (0.37) GGT1ARG1ARG2GRM2GRM3
SCHEMBL28752258 0.78 GGT1 (0.39) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27620512 0.78 GGT1 (0.39) GGT1ARG1ARG2GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN claimed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 CN disclosed
CN-1856301-A Curable beta-amino acid WARNER LAMBERT CO (US) 2006-11-01 CN disclosed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN disclosed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 CN disclosed