SCHEMBL8780356

SCHEMBL8780356

CCCCCCCOc1ccc(N2CCN(c3ccc(C(=O)n4nnc5ccccc54)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.78
AMY1A P0DUB6 5/20 0.78
GAA P10253 5/20 0.78
SI P14410 5/20 0.78
MGAM2 Q2M2H8 5/20 0.78
F12 P00748 4/20 0.56
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
FAAH O00519 2/20 0.54
MGLL Q99685 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
PLA2G2A P14555 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL27482532 1.00 MGAM (0.78) MGAMAMY1AGAASIMGAM2
SCHEMBL8780366 0.99 MGAM (0.80) MGAMAMY1AGAASIMGAM2
SCHEMBL27466934 0.92 MGAM (0.69) MGAMAMY1AGAASIMGAM2
SCHEMBL8780364 0.92 MGAM (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL8780420 0.89 MGAM (0.61) MGAMAMY1AGAASIMGAM2
SCHEMBL27553879 0.87 MGAM (0.67) MGAMAMY1AGAASIMGAM2
SCHEMBL27466501 0.86 MGAM (0.59) MGAMAMY1AGAASIMGAM2
SCHEMBL27481100 0.85 MGAM (0.93) MGAMAMY1AGAASIMGAM2
SCHEMBL6538447 0.85 HDAC3 (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL27482234 0.85 MGAM (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed