SCHEMBL30795148

SCHEMBL30795148

FCc1cccc(C#CCCc2cn3cccc(-c4ccccc4)c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.43
ALDH1A2 O94788 3/20 0.43
GRM5 P41594 4/20 0.41
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE10A Q9Y233 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL101349 1.00 ALDH1A3 (0.43) ALDH1A3ALDH1A2GRM5ALDH1A1NPC1
SCHEMBL101358 0.85 GRM5 (0.41) GRM5MAPTTSHRNPSR1
SCHEMBL103615 0.84 GRM5 (0.40) GRM5MAPTPDE10ANPSR1
SCHEMBL30794317 0.84 GRM5 (0.40) GRM5MAPTPDE10ANPSR1
SCHEMBL104087 0.82 GRM5 (0.42) GRM5ALDH1A1NPC1RAB9AKDM4E
SCHEMBL132127 0.75 GRM5 (0.47) GRM5
SCHEMBL5258543 0.74 GRM5 (0.66) GRM5SMN1; SMN2
SCHEMBL102850 0.73 GRM5 (0.70) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL103337 0.69 GRM5 (0.42) GRM5
SCHEMBL100452 0.68 GRM5 (0.57) GRM5ALDH1A1NPC1RAB9AKDM4E

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