SCHEMBL4597614

SCHEMBL4597614

Fc1ccc(C#CI)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.39
FFAR1 O14842 1/20 0.39
APP P05067 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CA12 O43570 1/20 0.33
AOC3 Q16853 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IDO1 P14902 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31

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
SCHEMBL5484562 0.85 APP (0.42) APPCA1CA2CA9CA12
SCHEMBL7717366 0.82 GRM5 (0.50) GRM5FFAR1APPCA1CA2
SCHEMBL10300106 0.82 GRM5 (0.50) GRM5FFAR1APPCA1CA2
SCHEMBL718949 0.82 GRM5 (0.50) GRM5FFAR1APPCA1CA2
Charcoal, Activated SCHEMBL31286307 0.79 GRM5 (0.48) GRM5FFAR1APPCA1CA2
Fluoride SCHEMBL31286313 0.79 GRM5 (0.48) GRM5FFAR1APPCA1CA2
SCHEMBL29868576 0.77 GRM5 (0.42) GRM5FFAR1APPCA1CA2
SCHEMBL29001486 0.76 APP (0.47) GRM5FFAR1APPCA1CA2
SCHEMBL20212084 0.74 GRM5 (0.50) GRM5FFAR1APPCA1CA2
SCHEMBL13810534 0.74 GRM5 (0.45) GRM5FFAR1APPCA1CA2

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-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed