SCHEMBL30795673

SCHEMBL30795673

c1ccc(Cc2ccccc2-n2cc(-c3ccccn3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
PDE10A Q9Y233 3/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDR P35968 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
DYRK1B Q9Y463 5/20 0.40
PAX8 Q06710 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
CREBBP Q92793 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MET P08581 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL3920397 1.00 GRM5 (0.45) GRM5PDE10ANPC1ALDH1A1RAB9A
SCHEMBL3923675 0.82 GRM5 (0.45) GRM5PDE10AKDRDYRK1BFLT3
SCHEMBL5221946 0.81 NPC1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2KDR
SCHEMBL5668086 0.78 KDR (0.55) GRM5PDE10AALDH1A1KDRDYRK1B
SCHEMBL14381068 0.76 GRM5 (0.50) GRM5PDE10AKDRDYRK1BFLT3
SCHEMBL5215794 0.76 GRM5 (0.50) GRM5PDE10AALDH1A1SMN1; SMN2KDR
SCHEMBL15945076 0.75 GRM5 (0.66) GRM5PDE10AKDRGRM4
SCHEMBL3928550 0.74 GRM5 (0.51) GRM5PDE10ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8357647 0.72 GRM5 (0.49) GRM5PDE10AKDRDYRK1BFLT3
SCHEMBL30795649 0.72 GRM5 (0.58) GRM5PDE10AKDRDYRK1BFLT3

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