SCHEMBL22699069

SCHEMBL22699069

CC(C)(C)OC(=O)NCCCN1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1H O95180 1/20 0.46
EPHX1 P07099 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL18947871 0.89 DRD2 (0.54) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL24619896 0.89 DRD2 (0.54) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL8254760 0.88 DRD2 (0.64) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL6700 0.87 DRD2 (0.53) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL22703621 0.85 DRD2 (0.54) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL24922242 0.85 DRD2 (0.51) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL25031746 0.84 DRD2 (0.55) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL21815267 0.84 DRD2 (0.50) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL13609474 0.84 DRD2 (0.60) DRD2TDP1SIGMAR1MEN1GAA
SCHEMBL9127008 0.84 DRD2 (0.60) DRD2TDP1SIGMAR1MEN1GAA

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
WO-2020236690-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed