SCHEMBL30796264

SCHEMBL30796264

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCC(C)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAF1 P04049 12/20 0.37
▸ BRAF P15056 12/20 0.37
▸ NAPEPLD Q6IQ20 2/20 0.37
▸ GBA1 P04062 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 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
SCHEMBL2131352 1.00 KDM4E (0.38) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2131003 0.87 NAPEPLD (0.46) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2128118 0.85 RAB9A (0.40) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2129762 0.84 NAPEPLD (0.39) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL30795161 0.84 NAPEPLD (0.39) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2134391 0.84 RAB9A (0.43) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL30795728 0.84 KDM4E (0.38) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2130853 0.84 KDM4E (0.38) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2129940 0.83 GBA1 (0.37) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL2128433 0.83 MEN1 (0.43) KDM4EALDH1A1CYP1A2GAAHPGD

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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