SCHEMBL30794851

SCHEMBL30794851

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ GLA P06280 1/20 0.44
▸ SLC6A9 P48067 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ LMNA P02545 5/20 0.42
▸ TP53 P04637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ADORA3 P0DMS8 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
SCHEMBL3237782 1.00 ALDH1A1 (0.44) ALDH1A1GLASLC6A9HCRTR1TSHR
SCHEMBL3235177 0.92 LMNA (0.45) ALDH1A1NPC1LMNATP53PKM
SCHEMBL30795885 0.92 LMNA (0.45) ALDH1A1NPC1LMNATP53PKM
SCHEMBL30796805 0.90 ALDH1A1 (0.47) ALDH1A1GLASLC6A9HCRTR1TSHR
SCHEMBL3236249 0.90 ALDH1A1 (0.47) ALDH1A1GLASLC6A9HCRTR1TSHR
SCHEMBL3242248 0.88 LHCGR (0.45) ALDH1A1NPC1LMNATP53SMN1; SMN2
SCHEMBL30795338 0.88 LHCGR (0.45) ALDH1A1NPC1LMNATP53SMN1; SMN2
SCHEMBL30794691 0.87 ALDH1A1 (0.48) ALDH1A1SLC6A9HCRTR1TSHRNPC1
SCHEMBL3239030 0.87 ALDH1A1 (0.48) ALDH1A1SLC6A9HCRTR1TSHRNPC1
SCHEMBL3236487 0.84 HDAC8 (0.54) ALDH1A1HCRTR1TSHRNPC1LMNA

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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