SCHEMBL26445599

SCHEMBL26445599

CC(=O)c1cc(-c2ccc(C)cc2)c(OCC2CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.53
EP300 Q09472 1/20 0.42
MAP4K4 O95819 1/20 0.41
KMO O15229 1/20 0.40
SYK P43405 1/20 0.40
CNR1 P21554 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
AKT1 P31749 1/20 0.40

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
SCHEMBL30680327 0.78 CNR2 (0.66) CNR2MAP4K4KMOCNR1
SCHEMBL411450 0.78 CNR2 (0.66) CNR2MAP4K4KMOCNR1
SCHEMBL18708221 0.78 TRPC6 (0.49) CNR2
SCHEMBL20594053 0.74 KMO (0.59) CNR2MAP4K4KMOCNR1
SCHEMBL30680252 0.74 KMO (0.59) CNR2MAP4K4KMOCNR1
SCHEMBL26445628 0.73 CNR2 (0.48) CNR2KMOCNR1
SCHEMBL20594044 0.73 CNR2 (0.67) CNR2CNR1
SCHEMBL8048393 0.72 FFAR4 (0.51) EP300KDM1A
SCHEMBL26095416 0.71 CNR2 (0.61) CNR2CNR1
SCHEMBL30390133 0.70 CNR2 (0.61) CNR2CNR1

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
EP-3642200-B1 PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed