SCHEMBL8577109

SCHEMBL8577109

CCOC(=O)CCC(O)c1cc2c3c(n(Cc4ccccc4)c2cc1CCc1ccccc1)CCCC3NC=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PLA2G2A P14555 2/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL6993132 0.90 FABP4 (0.35) HTR6
SCHEMBL6978340 0.86 PLA2G2A (0.41) HTR6TSHRPLA2G2A
SCHEMBL27862253 0.80 FABP4 (0.38) HTR6PLA2G2A
SCHEMBL6970677 0.79 PLA2G2A (0.39) HTR6TSHRPLA2G2A
SCHEMBL6978338 0.79 HTR6 (0.36) HTR6
SCHEMBL818662 0.78 PLA2G2A (0.42) HTR6PLA2G2A
SCHEMBL6993129 0.78 HTR6 (0.38) HTR6
SCHEMBL8577106 0.77 HTR6 (0.37) HTR6
SCHEMBL8575155 0.74 HTR6 (0.33) HTR6
SCHEMBL8575157 0.73 HTR6 (0.34) HTR6

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-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed