SCHEMBL28897472

SCHEMBL28897472

NNC(=O)C1CCC(N2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 11/20 0.41
DYRK1A Q13627 11/20 0.41
WNT1 P04628 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
PRCP P42785 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL28449145 1.00 L3MBTL3 (0.41) L3MBTL3L3MBTL1GSK3BDYRK1AWNT1
SCHEMBL21061673 0.86 WNT1 (0.41) L3MBTL1GSK3BDYRK1AWNT1LMNA
SCHEMBL21645195 0.80 CHRM1 (0.44) L3MBTL3L3MBTL1SMN1; SMN2LMNAHRH3
SCHEMBL28449108 0.79 TSHR (0.51) SMN1; SMN2LMNAALDH1A1
SCHEMBL28444960 0.79 GSK3B (0.39) L3MBTL3L3MBTL1GSK3BDYRK1AWNT1
SCHEMBL28968906 0.79 TSHR (0.51) SMN1; SMN2LMNAALDH1A1
SCHEMBL28447489 0.79 GSK3B (0.39) L3MBTL3L3MBTL1GSK3BDYRK1AWNT1
SCHEMBL28456680 0.79 GSK3B (0.39) L3MBTL3L3MBTL1GSK3BDYRK1AWNT1
SCHEMBL13291086 0.78 TSHR (0.53) L3MBTL3L3MBTL1SMN1; SMN2LMNAPRCP
SCHEMBL364361 0.77 HDAC1 (0.41) ALDH1A1

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-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed