SCHEMBL26548746

SCHEMBL26548746

CC(C)Nc1cc(OC2CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.48
HRH4 Q9H3N8 1/20 0.45
LNPEP Q9UIQ6 9/20 0.39
PROKR1 Q8TCW9 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GRM5 P41594 2/20 0.37
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 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
SCHEMBL28580893 0.79 FDPS (0.44) FDPSLNPEPPROKR1GRM5
SCHEMBL26548744 0.79 NOS1 (0.44) FDPSHRH4MAPK10MAPK14
SCHEMBL26548519 0.78 CCR1 (0.52) FDPSHRH4MAPK10MAPK14
SCHEMBL26550280 0.77 FDPS (0.48) FDPSHRH4PROKR1MAPK10MAPK14
SCHEMBL26548751 0.73 MAPK14 (0.40) FDPSHRH4MAPK10MAPK14
SCHEMBL26550285 0.72 MAPK14 (0.41) FDPSHRH4MAPK10MAPK14
SCHEMBL26547682 0.71 CYP2C9 (0.43) HRH4MAPK10MAPK14
SCHEMBL26550286 0.71 HTR7 (0.40) FDPSHRH4MAPK10MAPK14
SCHEMBL15102638 0.71 MAPK14 (0.42) FDPSHRH4MAPK10MAPK14
SCHEMBL12247661 0.70 GRM5 (0.45) FDPSLNPEPGRM5

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-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed