SCHEMBL30795341

SCHEMBL30795341

Brc1cc(Br)cc(-n2ccc(-c3ccccn3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.57
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
DOHH Q9BU89 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
TP53 P04637 3/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL3929713 1.00 GRM5 (0.57) GRM5KDM4ELMNACCR1CCR5
SCHEMBL3931406 0.90 GRM5 (0.51) GRM5KDM4ELMNACCR1CCR5
SCHEMBL30795646 0.87 GRM5 (0.71) GRM5KDM4EHTTALDH1A1CRHR1
SCHEMBL3920978 0.87 GRM5 (0.71) GRM5KDM4EHTTALDH1A1CRHR1
SCHEMBL30795324 0.82 GRM5 (0.64) GRM5KDM4ELMNACCR1CCR5
SCHEMBL3923785 0.82 GRM5 (0.64) GRM5KDM4ELMNACCR1CCR5
SCHEMBL3929805 0.81 GRM5 (0.57) GRM5KDM4ELMNACCR1CCR5
SCHEMBL5219536 0.81 GRM5 (0.57) GRM5KDM4ELMNACCR1CCR5
SCHEMBL5215879 0.79 GRM5 (0.54) GRM5KDM4ELMNACCR1CCR5
SCHEMBL3926081 0.78 GRM5 (0.53) GRM5KDM4ELMNACCR1CCR5

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