SCHEMBL30794864

SCHEMBL30794864

CCSc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.42
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SRC P12931 1/20 0.37
SCD O00767 1/20 0.37
CHRM4 P08173 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 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
SCHEMBL30794989 1.00 MTOR (0.42) MTORLMNAALDH1A1HPGDSRC
SCHEMBL2132349 1.00 MTOR (0.42) MTORLMNAALDH1A1HPGDSRC
SCHEMBL2132252 1.00 MTOR (0.42) MTORLMNAALDH1A1HPGDSRC
SCHEMBL2128537 0.92 PIK3CD (0.37) MTORPIK3CDPIK3CA
SCHEMBL30795233 0.91 CHRM4 (0.38) LMNAALDH1A1HPGDSRCSCD
SCHEMBL2129229 0.91 CHRM4 (0.38) LMNAALDH1A1HPGDSRCSCD
SCHEMBL30795028 0.91 ALDH1A1 (0.43) MTORLMNAALDH1A1HPGDPIK3CD
SCHEMBL2128601 0.91 ALDH1A1 (0.43) MTORLMNAALDH1A1HPGDPIK3CD
SCHEMBL2129286 0.91 LMNA (0.40) LMNAALDH1A1HPGDSCDCHRM4
SCHEMBL30794962 0.91 LMNA (0.40) LMNAALDH1A1HPGDSCDCHRM4

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