SCHEMBL30795352

SCHEMBL30795352

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 5/20 0.44
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 3/20 0.40
MTOR P42345 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
NAMPT P43490 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
SCHEMBL2130149 1.00 NAPEPLD (0.44) NAPEPLDPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2129273 0.91 NAMPT (0.46) NAPEPLDPIK3CAPIK3CGALDH1A1KDM4E
SCHEMBL30794891 0.91 NAMPT (0.46) NAPEPLDPIK3CAPIK3CGALDH1A1KDM4E
SCHEMBL30795109 0.91 NAPEPLD (0.53) NAPEPLDPIK3CBALDH1A1KDM4ENPC1
SCHEMBL2128423 0.91 NAPEPLD (0.53) NAPEPLDPIK3CBALDH1A1KDM4ENPC1
SCHEMBL2130723 0.90 SRC (0.45) NAPEPLDPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30795190 0.90 SRC (0.45) NAPEPLDPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30794521 0.88 SRC (0.44) NAPEPLDPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2129031 0.88 SRC (0.44) NAPEPLDPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2128542 0.87 NAPEPLD (0.46) NAPEPLDPIK3CDPIK3CAPIK3CBALDH1A1

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