SCHEMBL31165337

SCHEMBL31165337

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 6/20 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
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 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
SCHEMBL31165461 0.78 CACNB4 (0.47) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL31165292 0.78 KDM1A (0.44) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL21207007 0.77 BTK (0.51) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL31015634 0.77 BRD4 (0.39)
SCHEMBL31165331 0.76 DRD2 (0.44) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL25153988 0.76 LMNA (0.47) KMT2AL3MBTL1TYK2
SCHEMBL26102529 0.76 LMNA (0.47) KMT2AL3MBTL1TYK2
SCHEMBL10154247 0.75 CACNB4 (0.49) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL31165444 0.75 KDM1A (0.41) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL8228036 0.74 KDM1A (0.49) KDM1AMAOBKMT2AL3MBTL1DRD2

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-2024213610-A1 TRICYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
WO-2024213625-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed