SCHEMBL30795442

SCHEMBL30795442

C[C@@H]1CC[C@H](c2nc(-c3cc(Cl)c[nH]3)no2)CN1C(=O)c1ccnc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.40
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
HSD11B1 P28845 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CLPP Q16740 1/20 0.37

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
SCHEMBL601066 1.00 GRM5 (0.40) GRM5HCRTR1HCRTR2HSD11B1RAB9A
SCHEMBL7876409 0.90 HCRTR1 (0.40) GRM5HCRTR1HCRTR2RAB9ANPC1
SCHEMBL599809 0.89 GRM5 (0.47) GRM5HCRTR1HCRTR2HSD11B1RAB9A
SCHEMBL600492 0.88 PROKR1 (0.42) GRM5HCRTR1HCRTR2HSD11B1RAB9A
SCHEMBL600389 0.88 GRM5 (0.40) GRM5HCRTR1HCRTR2HSD11B1CLPP
SCHEMBL7879774 0.88 GRM5 (0.49) GRM5HSD11B1CLPP
SCHEMBL599414 0.88 GRM5 (0.49) GRM5HSD11B1CLPP
SCHEMBL1971600 0.86 HSD11B1 (0.55) GRM5HSD11B1RAB9ANPC1CLPP
SCHEMBL1971595 0.86 HSD11B1 (0.55) GRM5HSD11B1RAB9ANPC1CLPP
SCHEMBL30795726 0.86 HSD11B1 (0.52) GRM5HSD11B1RAB9ANPC1

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