SCHEMBL31356396

SCHEMBL31356396

COC(=O)N1C=CC=CC1c1ccc(C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
RAB9A P51151 8/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 4/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL31356350 0.84 F2R (0.36) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL31356354 0.80 KDM4E (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL31356346 0.71 NOTUM (0.38) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL31356332 0.70 GUSB (0.45) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31356422 0.70 GUSB (0.45) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31356356 0.67 RBP4 (0.42) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL2914663 0.65 TSHR (0.31)
SCHEMBL31356363 0.64 SMN1; SMN2 (0.45) SLC6A3RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL31356412 0.64 SMN1; SMN2 (0.45) SLC6A3RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL31356362 0.64 SMN1; SMN2 (0.45) SLC6A3RAB9ASMN1; SMN2ALDH1A1NPC1

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-2025032536-A1 1,3-DIAZA-4-OXA-[3.3.1]-BICYCLIC DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES, PARTICULARLY FOR THE TREATMENT OF OBESITY, DIABETES AND/OR NEURODEGENERATIVE DISEASES UNIVERSITÀ DI PISA (IT) 2025-02-13 WO disclosed