SCHEMBL27620489

SCHEMBL27620489

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
MAPT P10636 1/20 0.37
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
METAP1 P53582 1/20 0.35
METAP2 P50579 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
KLK7 P49862 1/20 0.31
LNPEP Q9UIQ6 2/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL27620512 0.97 GGT1 (0.39) GGT1MAPTARG1ARG2METAP1
SCHEMBL27601891 0.95 METAP1 (0.41) GGT1MAPTARG1ARG2METAP1
SCHEMBL27601895 0.94 MAPT (0.42) GGT1MAPTARG1ARG2METAP1
SCHEMBL28752258 0.88 GGT1 (0.39) GGT1MAPTARG1ARG2GRM2
SCHEMBL27620435 0.86 METAP1 (0.36) GGT1MAPTARG1ARG2METAP1
SCHEMBL27601905 0.84 GGT1 (0.39) GGT1ARG1ARG2GRM2GRM3
SCHEMBL27620521 0.83 GGT1 (0.38) GGT1ARG1ARG2GRM2GRM3
SCHEMBL28755080 0.83 METAP1 (0.39) GGT1MAPTMETAP1METAP2GRM2
SCHEMBL27601866 0.82 GGT1 (0.37) GGT1MAPTARG1ARG2METAP1
SCHEMBL27620501 0.81 GGT1 (0.47) GGT1MAPTARG1ARG2GRM2

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