SCHEMBL30789130

SCHEMBL30789130

Cc1cc(-c2nc(CN3CCNC(C)C3)no2)cc2c1C(=O)N(Cc1ccc(Cl)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.64
KCNH2 Q12809 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
MLNR O43193 4/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRL1 P41146 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL2123528 1.00 GRM2 (0.64) GRM2KCNH2XIAPBIRC2MLNR
SCHEMBL30789127 0.89 GRM2 (0.78) GRM2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2123824 0.89 GRM2 (0.78) GRM2KCNH2KDM4EALDH1A1HPGD
SCHEMBL15098092 0.87 GRM2 (0.54) GRM2KDM4EALDH1A1HPGDMAPK1
SCHEMBL13154730 0.86 GRM2 (0.65) GRM2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2123941 0.86 GRM2 (0.47) GRM2KCNH2KDM4EALDH1A1MAPK1
SCHEMBL2612606 0.83 GRM2 (0.61) GRM2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2612600 0.83 GRM2 (0.61) GRM2KCNH2KDM4EALDH1A1HPGD
SCHEMBL30789126 0.83 GRM2 (0.61) GRM2KCNH2KDM4EALDH1A1HPGD
SCHEMBL2122944 0.83 GRM2 (0.61) GRM2KCNH2KDM4EALDH1A1HPGD

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 3 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
WO-2024028611-A1 OXADIAZOLE COMPOUNDS FOR USE IN THE TREATMENT OF OBSESSIVE COMPULSIVE DISORDER SIRGARTAN HOLDINGS LTD (GB) 2024-02-08 WO disclosed