SCHEMBL6132772

SCHEMBL6132772

CC(=O)N1CCN(c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.59
CASP6 P55212 1/20 0.59
MAPT P10636 11/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 5/20 0.47
ALOX15 P16050 5/20 0.47
ALOX12 P18054 5/20 0.47
MAPK1 P28482 3/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL6132774 1.00 GFER (0.59) GFERCASP6MAPTKMT2AMEN1
SCHEMBL6132861 0.81 USP2 (0.62) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL6132857 0.81 USP2 (0.62) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL13069950 0.79 MAPT (0.54) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL6132320 0.78 USP2 (0.57) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6132668 0.78 USP2 (0.57) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6132666 0.78 USP2 (0.57) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6132323 0.78 USP2 (0.57) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL82046 0.76 GFER (0.71) GFERCASP6MAPTKMT2AMEN1
SCHEMBL1128293 0.76 GFER (0.71) GFERCASP6MAPTKMT2AMEN1

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed