SCHEMBL13354792

SCHEMBL13354792

CCOC(=O)N1CCc2sc(C3OC(C)O3)c(OC)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ACACA Q13085 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
ADORA1 P30542 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL13560074 0.86 MAPT (0.40) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL13560075 0.86 TP53 (0.33) ADORA1
SCHEMBL2994362 0.77 MAPT (0.44) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL2995547 0.77 MAPT (0.44) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL3008995 0.76 MAPT (0.43) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL3007349 0.76 L3MBTL1 (0.44) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL3001072 0.76 ADORA1 (0.45) MAPTGAAKDM4EALDH1A1RXFP1
SCHEMBL2989298 0.75 MAPT (0.42) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL3001775 0.75 MAPT (0.43) MAPTGAAKDM4EACACAALDH1A1
SCHEMBL2998082 0.70 ADORA1 (0.46) MAPTKDM4EALDH1A1ADORA1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 EP disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed