SCHEMBL25753776

SCHEMBL25753776

COCCNCc1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
CHRM2 P08172 2/20 0.50
SCN8A Q9UQD0 1/20 0.42
HTR2A P28223 1/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
FFAR1 O14842 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ACACB O00763 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12317 0.90 L3MBTL1 (0.64) L3MBTL1CHRM2SCN8AHTR2ADRD4
SCHEMBL31650251 0.81 L3MBTL1 (0.59) L3MBTL1CHRM2SCN8ADRD4ACACB
SCHEMBL3006810 0.81 LMNA (0.50) L3MBTL1CA1CA2NPC1MEN1
SCHEMBL25727914 0.80 L3MBTL1 (0.57) L3MBTL1CHRM2SCN8ADRD4HTT
SCHEMBL410455 0.80 SCN8A (0.57) L3MBTL1CHRM2SCN8ADRD4CA12
SCHEMBL24514473 0.80 CHRM2 (0.53) L3MBTL1CHRM2HTR2ACA12CA1
SCHEMBL31646173 0.80 TBK1 (0.48) L3MBTL1ACACB
SCHEMBL25727970 0.79 L3MBTL1 (0.49) L3MBTL1CHRM2SCN8ADRD4DRD2
Hydrochloric Acid SCHEMBL25238514 0.79 L3MBTL1 (0.59) L3MBTL1CHRM2SCN8ADRD4HTT
Hydrochloric Acid SCHEMBL31017494 0.79 L3MBTL1 (0.49) L3MBTL1ACACB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118557-A1 AN INJECTABLE PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF RESPIRATORY DISEASES IN ANIMALS INTERVET INTERNATIONAL B.V. (NL) 2023-06-29 WO disclosed