SCHEMBL30794831

SCHEMBL30794831

COC[C@@H]1CN(c2cc(C)c(C(=O)NCc3ccc(Cl)cc3)c(C3CC3)n2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD4 P21917 3/20 0.40
PPARA Q07869 1/20 0.39
MDM2 Q00987 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
IGF1R P08069 1/20 0.37
ALK Q9UM73 1/20 0.37
PDE5A O76074 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL2128204 1.00 MEN1 (0.45) MEN1KMT2ADRD4PPARAMDM2
SCHEMBL19712373 0.88 MEN1 (0.39) MEN1KMT2ADRD4PPARAMDM2
SCHEMBL2129056 0.87 MEN1 (0.45) MEN1KMT2ADRD4PPARAMDM2
SCHEMBL2131268 0.86 KMT2A (0.51) MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL30795446 0.86 KMT2A (0.51) MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL2128658 0.85 MEN1 (0.43) MEN1KMT2ADRD4PPARACYP2C9
SCHEMBL2130019 0.85 MEN1 (0.43) MEN1KMT2ADRD4PPARACYP2C9
SCHEMBL19712383 0.78 MDM2 (0.39) MEN1KMT2ADRD4PPARAMDM2
SCHEMBL2130332 0.78 AKT1 (0.46) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL30794392 0.78 AKT1 (0.46) MEN1KMT2ASMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed