SCHEMBL9800495

SCHEMBL9800495

CCCCCCC(OC(=O)C(CC)c1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CHRM3 P20309 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNQ2 O43526 3/20 0.42
CHRM1 P11229 2/20 0.42
KCNQ3 O43525 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNQ4 P56696 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9800488 0.83 GAA (0.55) GAAKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL12702271 0.82 CHRM3 (0.52) GAASMN1; SMN2ALDH1A1CHRM3TSHR
SCHEMBL9800451 0.78 GAA (0.57) GAAKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL9800487 0.77 FAAH (0.48) MEN1KMT2A
SCHEMBL1589765 0.77 HTR1A (0.53) GAAKDM4ESMN1; SMN2ALDH1A1CHRM3
SCHEMBL28426008 0.76 KDM4A (0.47) GAAKDM4ELMNAL3MBTL1RECQL
SCHEMBL9910968 0.75 KCNQ2 (0.56) GAAKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL10636873 0.74 HTT (0.44) KDM4ESMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL19024837 0.72 PRSS1 (0.59) GAAKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL19024736 0.72 PRSS1 (0.59) GAAKDM4ESMN1; SMN2ALDH1A1LMNA

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