SCHEMBL24650809

SCHEMBL24650809

COC(=O)CCCOc1cc(O)cc2c1CC(N)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL24651145 0.94 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2C19CNR1
SCHEMBL24650838 0.88 PDE4A (0.42) CYP1A2MEN1KMT2AHPGDALDH1A1
SCHEMBL24650814 0.86 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2C19CNR1
SCHEMBL24650248 0.86 PTGDR2 (0.41) MAPTCNR1CNR2TSHRMEN1
SCHEMBL24650917 0.86 LMNA (0.46) MAPTCYP1A2TSHRHSP90AB1MEN1
SCHEMBL24650816 0.84 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C19CNR1
SCHEMBL24650405 0.84 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2C19CNR1
SCHEMBL24650998 0.82 MIF (0.36) MAPTTSHRHSP90AB1
SCHEMBL24650755 0.82 MAPT (0.45) MAPTCYP1A2CYP3A4CYP2C19CNR1
SCHEMBL24651147 0.82 PTGDR2 (0.40) MAPTTSHRALDH1A1

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