SCHEMBL30795000

SCHEMBL30795000

COc1ccc(-n2ccc(-c3ccccn3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
ABCB11 O95342 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
METAP1 P53582 2/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
FLT3 P36888 1/20 0.43
MAPT P10636 3/20 0.43
DCTPP1 Q9H773 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
F2 P00734 1/20 0.43
F12 P00748 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL3921053 1.00 GRM5 (0.51) GRM5ABCB11HDAC6METAP1HTT
SCHEMBL3923785 0.82 GRM5 (0.64) GRM5METAP1HTTRAB9AL3MBTL1
SCHEMBL30795324 0.82 GRM5 (0.64) GRM5METAP1HTTRAB9AL3MBTL1
SCHEMBL5669525 0.80 GRM5 (0.55) GRM5METAP1HTTRAB9AL3MBTL1
SCHEMBL19120907 0.80 FLT3 (0.61) GRM5METAP1HTTRAB9AL3MBTL1
SCHEMBL4316115 0.80 ABCB11 (0.55) ABCB11HDAC6HTTRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL5672104 0.79 GRM5 (0.53) GRM5METAP1HTTRAB9AL3MBTL1
SCHEMBL2192371 0.78 FLT3 (0.72) GRM5METAP1FLT3
SCHEMBL12857463 0.77 ABCB11 (0.58) ABCB11HDAC6HTTRAB9AL3MBTL1
SCHEMBL3922838 0.75 KDM4E (0.51) GRM5METAP1HTTSMN1; SMN2

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