SCHEMBL31165331

SCHEMBL31165331

CC(C)(C)OC(=O)NC1CCC(C(F)(F)c2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
DRD3 P35462 2/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.41
JAK3 P52333 2/20 0.40
BTK Q06187 1/20 0.40
CCRL2 O00421 1/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 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
SCHEMBL31165363 0.89 CCRL2 (0.48) DRD2DRD3KMT2AL3MBTL1JAK3
SCHEMBL31165291 0.87 EPHX1 (0.55) DRD2DRD3
SCHEMBL31165357 0.86 EPHX1 (0.43) DRD2DRD3KMT2AL3MBTL1CCRL2
SCHEMBL31165545 0.79 STS (0.47) KMT2AL3MBTL1
SCHEMBL31165392 0.79 STK17B (0.46) DRD2DRD3KMT2A
SCHEMBL31165498 0.79 KAT6A (0.38) CACNA1GCACNA1BCACNA1C
SCHEMBL31165461 0.78 CACNB4 (0.47) DRD2DRD3KDM1AMAOBCKS1B
SCHEMBL31165292 0.78 KDM1A (0.44) DRD2DRD3KDM1AMAOBCKS1B
SCHEMBL31165324 0.77 HRH4 (0.32)
SCHEMBL25153844 0.77 LMNA (0.49) KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695237-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
EP-4695259-A1 TRICYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
WO-2024213625-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
WO-2024213610-A1 TRICYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed