SCHEMBL19300081

SCHEMBL19300081

CNc1nnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK1 P28482 2/20 0.55
USP2 O75604 2/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
NFKB1 P19838 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55

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
SCHEMBL19300267 0.89 OGA (0.66) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19300079 0.87 OGA (0.67) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19300265 0.86 OGA (0.66) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11520142 0.85 MEN1 (0.61) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19481321 0.83 MEN1 (0.61) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23653068 0.82 ALDH1A1 (0.54) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12298740 0.79 GLS (0.55) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11520225 0.78 CYP2D6 (0.55) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17551140 0.77 OGA (0.79) OGA
SCHEMBL11517028 0.77 MEN1 (0.59) MEN1CYP1A2CYP3A4CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023280381-A1 MEDICAMENTS COMPRISING GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-01-12 WO disclosed
EP-3419976-B1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-04-07 EP disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed