SCHEMBL8780382

SCHEMBL8780382

O=C(c1ccc(-c2ccc(OCCCCCCCCn3cnnn3)cc2)cc1)n1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.66
AMY1A P0DUB6 9/20 0.66
GAA P10253 9/20 0.66
SI P14410 9/20 0.66
MGAM2 Q2M2H8 9/20 0.66
F12 P00748 5/20 0.52
KMT2A Q03164 5/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
F2 P00734 1/20 0.47
SLC9A1 P19634 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
LTB4R Q15722 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8780451 0.87 MGAM (0.63) MGAMAMY1AGAASIMGAM2
SCHEMBL8780422 0.85 MGAM (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL27481100 0.84 MGAM (0.93) MGAMAMY1AGAASIMGAM2
SCHEMBL27482235 0.83 MGAM (0.76) MGAMAMY1AGAASIMGAM2
SCHEMBL7330666 0.82 MGAM (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL8780395 0.82 MGAM (0.73) MGAMAMY1AGAASIMGAM2
SCHEMBL6134508 0.80 MGAM (0.80) MGAMAMY1AGAASIMGAM2
SCHEMBL8780380 0.78 GAA (0.62) MGAMAMY1AGAASIMGAM2
SCHEMBL27482933 0.78 MGAM (0.77) MGAMAMY1AGAASIMGAM2
SCHEMBL27481038 0.78 MGAM (0.77) MGAMAMY1AGAASIMGAM2

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
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed