SCHEMBL24650754

SCHEMBL24650754

COC(=O)CCCOc1cc2c(cc1OC)CC(N)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
PDE4B Q07343 4/20 0.41
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHFR P00374 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL24650749 0.93 KMT2A (0.41) MAPTPDE4BPDE4DGAAKMT2A
SCHEMBL24650756 0.91 MAPT (0.45) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL24650410 0.88 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL24650755 0.88 MAPT (0.45) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL24650743 0.88 TSHR (0.44) MAPTPDE4BPDE4DHPGDHTT
SCHEMBL24650389 0.85 HMGCR (0.50) GAAKMT2ACA1CA2ACHE
SCHEMBL24650750 0.84 ACHE (0.40) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL24650385 0.83 LMNA (0.51) MAPTPDE4BPDE4DKMT2ACA1
SCHEMBL24650814 0.82 MAPT (0.42) MAPTPDE4BPDE4DPDE4APDE4C
SCHEMBL24650948 0.82 SLC2A1 (0.41) GAAKMT2ACA1CA2HPGD

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed