SCHEMBL30794880

SCHEMBL30794880

O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
CLPP Q16740 1/20 0.56
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD11B1 P28845 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NAMPT P43490 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAP3K12 Q12852 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3586318 1.00 GRM5 (0.56) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3586314 1.00 GRM5 (0.56) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3591534 0.90 PDE2A (0.49) GRM5CLPPL3MBTL1HSD11B1NAMPT
SCHEMBL3591531 0.90 PDE2A (0.49) GRM5CLPPL3MBTL1HSD11B1NAMPT
SCHEMBL3585860 0.88 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3585856 0.88 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3584326 0.86 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL30794762 0.86 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3584320 0.86 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3584728 0.86 GRM5 (0.68) GRM5CLPPATML3MBTL1HSD11B1

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