SCHEMBL28629617

SCHEMBL28629617

CCC(C)C(NCCN)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.35
GABRR1 P24046 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GGT1 P19440 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL3470018 0.86 ALDH1A1 (0.52) ENPEPALDH1A1GABRR1L3MBTL1GGT1
SCHEMBL10448382 0.83 CA1 (0.41) ENPEPALDH1A1HTTL3MBTL1CA2
SCHEMBL10448380 0.83 CA1 (0.41) ENPEPALDH1A1HTTL3MBTL1CA2
SCHEMBL9193247 0.83 ENPEP (0.40) ENPEPALDH1A1HTTL3MBTL1
SCHEMBL30700134 0.82 ALDH1A1 (0.41) ENPEPALDH1A1HTTL3MBTL1KDM4E
SCHEMBL10448208 0.81 ALDH1A1 (0.40) ENPEPALDH1A1HTTL3MBTL1
SCHEMBL10448595 0.80 ENPEP (0.36) ENPEPALDH1A1HTTL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL7773478 0.79 EPHX1 (0.41) ENPEPCA2CA1
Hydrochloric Acid SCHEMBL7773476 0.79 EPHX1 (0.41) ENPEPCA2CA1
SCHEMBL7276512 0.78 ENPEP (0.39) ENPEPALDH1A1L3MBTL1

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
CN-113301920-A Complexes comprising ligands, spacers, peptide linkers and biomolecules 安斯泰来制药株式会社 2021-08-24 CN disclosed
CN-113271973-A Complex comprising a ligand and a CEACAM5 antibody Fab fragment 安斯泰来制药株式会社 2021-08-17 CN disclosed