SCHEMBL27620403

SCHEMBL27620403

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.37
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
GGT1 P19440 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CA2 P00918 4/20 0.32
MAPK1 P28482 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CA1 P00915 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 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
SCHEMBL27620450 0.85 GRIK1 (0.41) BLMCA2MAPK1CA1
SCHEMBL27620513 0.82 GGT1 (0.37) BLMARG1ARG2GGT1NOS1
SCHEMBL264732 0.82 GGT1 (0.42) BLMARG1ARG2GGT1NOS1
SCHEMBL27601822 0.82 GGT1 (0.42) BLMARG1ARG2GGT1NOS1
SCHEMBL27601885 0.81 CACNA2D1 (0.40) BLMARG1ARG2GGT1NOS1
SCHEMBL27620443 0.81 BLM (0.48) BLMARG1ARG2GGT1NOS1
Hydrochloric Acid SCHEMBL28437650 0.80 GGT1 (0.41) BLMARG1ARG2GGT1NOS1
Hydrochloric Acid SCHEMBL4330886 0.80 GGT1 (0.41) BLMARG1ARG2GGT1NOS1
Benzene SCHEMBL4960434 0.78 GGT1 (0.39) BLMARG1ARG2GGT1NOS1
Benzene SCHEMBL27719900 0.78 GGT1 (0.39) BLMARG1ARG2GGT1NOS1

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 6 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-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 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