SCHEMBL25857668

SCHEMBL25857668

Nc1ccnn1CC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PDE8B O95263 1/20 0.42
PKM P14618 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RET P07949 2/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL1491074 0.89 KDM4E (0.47) KDM4EPKMALDH1A1MEN1MAPT
SCHEMBL1491087 0.84 PKM (0.49) KDM4EPKMALDH1A1MEN1MAPT
SCHEMBL15651998 0.76 OPRM1 (0.43) PDE8BCTSDCTSEBACE1PIK3CD
SCHEMBL1958192 0.74 FEN1 (0.40) PDE8BCTSDCTSEBACE1PIK3CD
SCHEMBL25857669 0.72 PKM (0.44) PDE8BPKMRETCTSDCTSE
SCHEMBL21960869 0.72 L3MBTL1 (0.42) PDE8BRETCTSDCTSEBACE1
SCHEMBL21964543 0.72 EED (0.43) PDE8BPKMRETCTSDCTSE
SCHEMBL1957095 0.71 LMNA (0.46) KDM4EPKMALDH1A1PIK3CA
Hydrochloric Acid SCHEMBL25215203 0.71 PDE8B (0.36) PDE8BRETCTSDCTSEBACE1
SCHEMBL9941718 0.70 DDB1 (0.40) PDE8BPKMRETPIK3CDCDC7

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed