SCHEMBL30794447

SCHEMBL30794447

Cc1cc(N2CCOCC2)nc(OCC2CC2)c1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 5/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.43
THRB P10828 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2129135 1.00 NAPEPLD (0.48) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL2130674 0.91 TP53 (0.48) NAPEPLDKMT2ATHRBLMNATP53
SCHEMBL30795531 0.91 TP53 (0.48) NAPEPLDKMT2ATHRBLMNATP53
SCHEMBL2129465 0.89 MEN1 (0.50) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL2129573 0.87 MEN1 (0.52) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL2130001 0.87 MEN1 (0.48) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL2129067 0.86 MEN1 (0.47) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL2129255 0.85 KMT2A (0.46) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL30795446 0.83 KMT2A (0.51) NAPEPLDKMT2AMEN1RXFP1THRB
SCHEMBL2131268 0.83 KMT2A (0.51) NAPEPLDKMT2AMEN1RXFP1THRB

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