SCHEMBL31579624

SCHEMBL31579624

CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)C1CCN(C(=O)OCc3ccccc3)CC1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.46
STS P08842 1/20 0.46
NAMPT P43490 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
YAP1 P46937 1/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL2821181 0.85 MEN1 (0.54) MGLLNAMPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL31579580 0.85 SMN1; SMN2 (0.47) MGLLSMN1; SMN2NPC1RAB9AHTT
SCHEMBL23673734 0.83 STS (0.55) STSSMN1; SMN2NPC1RAB9AHTT
SCHEMBL31579558 0.83 YAP1 (0.48) MGLLSTSSMN1; SMN2NPC1RAB9A
SCHEMBL30869854 0.82 MEN1 (0.52) MGLLSMN1; SMN2NPC1RAB9AHTT
SCHEMBL34473416 0.79 SMN1; SMN2 (0.57) STSSMN1; SMN2NPC1RAB9AHTT
SCHEMBL17328229 0.79 MGLL (0.70) MGLLNAMPTGPR119MEN1KMT2A
SCHEMBL13954406 0.78 GPR119 (0.67) STSSMN1; SMN2NPC1RAB9AHTT
SCHEMBL31579450 0.77 SMN1; SMN2 (0.46) MGLLSTSSMN1; SMN2NPC1RAB9A
SCHEMBL4978146 0.77 STS (0.48) STSSMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104154-A1 5-[2,7-DIAZASPIRO[3.5]NONAN-7-YL]-5-[4-PHENOXYPHENYL]HEXAHYDROPYRIMIDINE-2,4,6-TRIONE DERIVATIVES AS MMP9 INHIBITORS FOR THE TREATMENT OF DRY EYE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-05-22 WO disclosed