SCHEMBL30795728

SCHEMBL30795728

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GBA1 P04062 2/20 0.36
▸ NAPEPLD Q6IQ20 1/20 0.36
▸ RAF1 P04049 7/20 0.36
▸ BRAF P15056 7/20 0.36

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
SCHEMBL2130853 1.00 KDM4E (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30794827 0.92 RAB9A (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2128738 0.92 RAB9A (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2128433 0.91 MEN1 (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30795908 0.91 MEN1 (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2129976 0.90 RAB9A (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30794675 0.90 RAB9A (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2130573 0.87 ALDH1A1 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30796132 0.87 ALDH1A1 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2128118 0.87 RAB9A (0.40) KDM4EALDH1A1GAAHPGDHSD17B10

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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