SCHEMBL6132930

SCHEMBL6132930

CCOC(=O)c1ccc(N2CCN(c3ccc(N4CCC5(CCCC5)CC4)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIRT2 Q8IXJ6 3/20 0.48
SIRT1 Q96EB6 3/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 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
SCHEMBL2951762 0.93 HPGD (0.55) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL20188098 0.87 HPGD (0.65) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL22015905 0.87 HPGD (0.65) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL20187714 0.86 HPGD (0.59) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL4126209 0.85 ALDH1A1 (0.55) HPGDHTTALDH1A1MEN1KMT2A
SCHEMBL2941901 0.85 HTT (0.55) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL28242074 0.84 HPGD (0.61) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL3898465 0.84 HPGD (0.61) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL2947812 0.83 ALDH1A1 (0.64) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL3900474 0.83 SIRT2 (0.60) HPGDHTTALDH1A1TSHRMEN1

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