SCHEMBL30796316

SCHEMBL30796316

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCC(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPEPLD Q6IQ20 6/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ RAF1 P04049 4/20 0.41
▸ BRAF P15056 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PIK3CB P42338 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL2128945 1.00 NAPEPLD (0.41) NAPEPLDRAB9AHTTATMRAF1
SCHEMBL30795908 0.86 MEN1 (0.43) NAPEPLDRAB9ARAF1BRAFKDM4E
SCHEMBL2128433 0.86 MEN1 (0.43) NAPEPLDRAB9ARAF1BRAFKDM4E
SCHEMBL2129976 0.86 RAB9A (0.38) NAPEPLDRAB9AHTTATMRAF1
SCHEMBL2128738 0.86 RAB9A (0.38) NAPEPLDRAB9AHTTATMRAF1
SCHEMBL30794827 0.86 RAB9A (0.38) NAPEPLDRAB9AHTTATMRAF1
SCHEMBL30794675 0.86 RAB9A (0.38) NAPEPLDRAB9AHTTATMRAF1
SCHEMBL2128718 0.86 LMNA (0.53) NAPEPLDRAB9AHTTPIK3CBLMNA
SCHEMBL30796087 0.86 LMNA (0.53) NAPEPLDRAB9AHTTPIK3CBLMNA
SCHEMBL2128423 0.84 NAPEPLD (0.53) NAPEPLDRAB9AHTTKDM4EALDH1A1

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
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