SCHEMBL9800485

SCHEMBL9800485

CC(C)CC(OC(=O)CCCc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.51
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGLL Q99685 5/20 0.45
REN P00797 2/20 0.43

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
SCHEMBL9800450 0.83 FAAH (0.53) FAAHNPC1TDP1MGLL
SCHEMBL9800487 0.83 FAAH (0.48) FAAHNPC1TDP1MGLLREN
SCHEMBL7304728 0.82 FAAH (0.50) FAAHTDP1MGLL
SCHEMBL9800442 0.82 FAAH (0.50) FAAHTDP1MGLL
SCHEMBL11800230 0.74 TSHR (0.64) FAAHNPC1TDP1MGLL
SCHEMBL26616529 0.73 SMN1; SMN2 (0.58) NPC1TDP1
SCHEMBL9800488 0.73 GAA (0.55)
SCHEMBL26710742 0.71 CCR1 (0.60) NPC1TDP1
SCHEMBL9501718 0.71 CCR1 (0.60) NPC1TDP1
Acetic Acid SCHEMBL28974131 0.71 TSHR (0.60) FAAHNPC1TDP1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224272-B1 PYRROLIDINYLAMIDE ESTER DERIVATIVE HAVING ANTI-PROLYL ENDOPEPTIDASE ACTIVITY, ITS SYNTHESIS AND USE AND A PHARMACEUTICAL COMPOSITION CONTAINING IT SUNTORY LIMITED (JP) 1991-02-06 EP disclosed
US-4757083-A Enzyme inhibitors SUNTORY LIMITED (JP) 1988-07-12 US disclosed
EP-0224272-A1 Pyrrolidinylamide ester derivative having anti-prolyl endopeptidase activity, its synthesis and use and a pharmaceutical composition containing it SUNTORY LIMITED (JP) 1987-06-03 EP disclosed