SCHEMBL7510142

SCHEMBL7510142

CCC(C)(C)C(=O)CCCCCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.63
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RIPK1 Q13546 1/20 0.53
HRH1 P35367 2/20 0.50
MAPT P10636 1/20 0.48
FKBP1A P62942 5/20 0.46
MTOR P42345 1/20 0.46
FKBP4 Q02790 1/20 0.46
FKBP5 Q13451 1/20 0.46

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
SCHEMBL25855877 0.83 FAAH (0.64) RIPK1MAPT
SCHEMBL19002577 0.81 TBXAS1 (0.60) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL607494 0.78 TBXAS1 (1.00) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL7443753 0.78 TBXAS1 (1.00) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL16116694 0.78 TBXAS1 (1.00) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL18248629 0.78 TBXAS1 (0.77) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL14959999 0.78 TBXAS1 (0.77) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL10772829 0.78 TBXAS1 (0.77) TBXAS1TDP1L3MBTL1HRH1MAPT
SCHEMBL1009589 0.78 TBXAS1 (1.00) TBXAS1TDP1L3MBTL1HRH1MAPT
Bicarbonate SCHEMBL9522433 0.77 TBXAS1 (0.81) TBXAS1TDP1L3MBTL1HRH1MAPT

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-2001079177-A1 CYCLIC DIAZA COMPOUNDS FOR TREATING NEURODEGENERATIVE DISORDERS GPI NIL HOLDINGS, INC. (US) 2001-10-25 WO disclosed