SCHEMBL30795348

SCHEMBL30795348

C[C@@H]1CC[C@H](c2noc(-c3cc(Cl)c[nH]3)n2)CN1C(=O)c1ccnc(-c2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.40
HCRTR2 O43614 16/20 0.40
USP30 Q70CQ3 2/20 0.37
GHSR Q92847 1/20 0.36
GRM5 P41594 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
SCHEMBL600041 1.00 HCRTR1 (0.40) HCRTR1HCRTR2USP30GHSRGRM5
SCHEMBL600344 0.92 GRM5 (0.40) HCRTR1HCRTR2USP30GHSRGRM5
SCHEMBL600288 0.90 GHSR (0.39) HCRTR1HCRTR2GHSR
SCHEMBL600856 0.90 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL600294 0.89 HCRTR2 (0.37) HCRTR1HCRTR2USP30
SCHEMBL602009 0.89 HCRTR2 (0.44) HCRTR1HCRTR2GHSR
SCHEMBL30795759 0.89 HCRTR2 (0.44) HCRTR1HCRTR2GHSR
SCHEMBL601150 0.87 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL600605 0.87 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL600589 0.86 PROKR1 (0.44) HCRTR1HCRTR2

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 2 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
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed