SCHEMBL6132217

SCHEMBL6132217

CC(=O)N1CCN(c2ccc(N3CCC(OC4CCCCC4)CC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.55
CASP6 P55212 1/20 0.55
MAPT P10636 7/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
NAMPT P43490 2/20 0.46
RORC P51449 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL6539208 0.84 GFER (0.57) GFERCASP6MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6132781 0.80 USP2 (0.57) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8259410 0.80 GFER (0.59) GFERCASP6MAPTKMT2AMEN1
SCHEMBL6132455 0.78 ALDH1A1 (0.49) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6132581 0.77 MAPT (0.54) GFERCASP6MAPTKMT2AMEN1
SCHEMBL30555283 0.76 USP2 (0.50) ALDH1A1NAMPTNPC1RAB9AALOX12
SCHEMBL7313812 0.76 ALDH1A1 (0.50) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL681898 0.75 PDE4B (0.64)
SCHEMBL24379449 0.75 USP2 (0.62) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9014134 0.74 CASP6 (0.51) GFERCASP6KMT2ANAMPTHRH3

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed