SCHEMBL6177540

SCHEMBL6177540

CC1CCCCC1.COc1ccccc1C1CCN(C[C@@H](Cc2cccnc2)NC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
DRD4 P21917 3/20 0.45
HTR1A P08908 2/20 0.45
DRD3 P35462 1/20 0.45
CHRM4 P08173 1/20 0.42
DRD2 P14416 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV6 Q9H1D0 1/20 0.40
PDE4A P27815 1/20 0.39
MAPK1 P28482 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MCOLN1 Q9GZU1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6176194 0.92 MEN1 (0.52) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL6181828 0.91 MEN1 (0.45) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL7968949 0.87 MEN1 (0.45) MEN1KMT2ADRD4HTR1ADRD3
Cyclohexane SCHEMBL6179896 0.87 MEN1 (0.57) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL6176842 0.85 DRD4 (0.63) MEN1KMT2ADRD4HTR1ADRD3
SCHEMBL6180581 0.83 MEN1 (0.53) MEN1KMT2ADRD4CHRM4DRD2
Cyclohexane SCHEMBL6181887 0.82 MEN1 (0.50) MEN1KMT2ADRD4CHRM4DRD2
SCHEMBL6178285 0.81 MEN1 (0.55) MEN1KMT2ADRD4HTR1ACHRM4
Cyclohexane SCHEMBL6178387 0.80 MEN1 (0.48) MEN1KMT2ADRD4HTR1ACHRM4
SCHEMBL7968954 0.79 HTR1A (0.42) MEN1KMT2ADRD4HTR1ADRD3

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
EP-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP claimed