SCHEMBL30795057

SCHEMBL30795057

CC(C)c1nn(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.44
▸ P2RX7 Q99572 7/20 0.40
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL1789646 1.00 NLRP3 (0.44) NLRP3P2RX7GLAKMT2AGPR55
SCHEMBL1789170 0.85 P2RX7 (0.51) P2RX7GLAKMT2AHSD11B1
SCHEMBL30796577 0.85 P2RX7 (0.51) P2RX7GLAKMT2AHSD11B1
SCHEMBL1789341 0.77 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL30795763 0.77 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL30794468 0.76 KDM4E (0.44) P2RX7GLAKMT2A
SCHEMBL1787781 0.76 KDM4E (0.44) P2RX7GLAKMT2A
SCHEMBL30794744 0.76 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL1785619 0.76 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL1791915 0.75 P2RX7 (0.48) P2RX7GLAKMT2A

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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