SCHEMBL30794744

SCHEMBL30794744

CC(C)c1nn(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL1785619 1.00 P2RX7 (0.42) P2RX7DPP8DPP9POLBKMT2A
SCHEMBL1789170 0.90 P2RX7 (0.51) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL30796577 0.90 P2RX7 (0.51) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL1789341 0.90 P2RX7 (0.42) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL30795763 0.90 P2RX7 (0.42) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL30796137 0.84 P2RX7 (0.39) P2RX7POLB
SCHEMBL1788161 0.84 P2RX7 (0.39) P2RX7POLB
SCHEMBL1785159 0.77 P2RX7 (0.47) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL30794566 0.77 P2RX7 (0.47) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL1789646 0.76 NLRP3 (0.44) P2RX7KMT2A

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
Send feedback