SCHEMBL30795338

SCHEMBL30795338

COc1ccc(NC(=O)CCC(=O)N2CCc3c(C)cc(C)cc3C2c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 3/20 0.45
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ HTT P42858 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL3242248 1.00 LHCGR (0.45) LHCGRMAPTTP53ALDH1A1HTT
SCHEMBL30796107 0.89 ALDH1A1 (0.45) LHCGRMAPTTP53ALDH1A1HTT
SCHEMBL3238094 0.89 ALDH1A1 (0.45) LHCGRMAPTTP53ALDH1A1HTT
SCHEMBL3237782 0.88 ALDH1A1 (0.44) MAPTTP53ALDH1A1HTTNPC1
SCHEMBL30794851 0.88 ALDH1A1 (0.44) MAPTTP53ALDH1A1HTTNPC1
SCHEMBL30795608 0.87 ALDH1A1 (0.49) LHCGRMAPTTP53ALDH1A1HTT
SCHEMBL3244171 0.87 ALDH1A1 (0.49) LHCGRMAPTTP53ALDH1A1HTT
SCHEMBL30794386 0.82 TP53 (0.45) MAPTTP53ALDH1A1HTTNPC1
SCHEMBL3242926 0.82 TP53 (0.45) MAPTTP53ALDH1A1HTTNPC1
SCHEMBL3231238 0.82 NOTUM (0.40) MAPTTP53ALDH1A1NPC1RAB9A

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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