SCHEMBL28974572

SCHEMBL28974572

CC1(C)OC[C@@H](COC2CCN(C(=O)O)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAMPT P43490 3/20 0.32
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
HTR7 P34969 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
SCHEMBL28974507 1.00 CA2 (0.47) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL850317 0.84 GPR119 (0.43) CA2
SCHEMBL850316 0.84 GPR119 (0.43) CA2
SCHEMBL23486493 0.74 CA2 (0.50) CA2ALDH1A1NPSR1
SCHEMBL19023039 0.74 HCRTR2 (0.33)
SCHEMBL23486761 0.74 CA2 (0.50) CA2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL23466494 0.73 CA2 (0.49) CA2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL23466419 0.73 CA2 (0.49) CA2ALDH1A1NPSR1
SCHEMBL20745803 0.72 MAPT (0.37) ALDH1A1NPSR1
SCHEMBL20745802 0.72 MAPT (0.37) ALDH1A1NPSR1

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-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed