SCHEMBL6132301

SCHEMBL6132301

COCCCCOc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HRH3 Q9Y5N1 9/20 0.54
MMP3 P08254 2/20 0.50
HRH2 P25021 6/20 0.49
HRH1 P35367 6/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MMP2 P08253 2/20 0.49
MAOB P27338 1/20 0.47

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
SCHEMBL3111919 0.98 HRH3 (0.57) ALDH1A1MAPTHRH3MMP3HRH2
SCHEMBL12550024 0.93 HDAC1 (0.58) ALDH1A1HRH3MMP3HRH2HRH1
SCHEMBL19130590 0.93 HDAC1 (0.58) ALDH1A1HRH3MMP3HRH2HRH1
SCHEMBL15581343 0.93 HDAC1 (0.58) ALDH1A1HRH3MMP3HRH2HRH1
SCHEMBL4867346 0.90 MAPT (0.61) ALDH1A1MAPTHRH3MMP3HRH2
SCHEMBL5519875 0.89 HRH3 (0.62) ALDH1A1MAPTHRH3MMP3HRH2
SCHEMBL12408526 0.87 HRH3 (0.66) ALDH1A1MAPTHRH3MMP3HRH2
SCHEMBL5526919 0.87 HRH3 (0.66) ALDH1A1MAPTHRH3MMP3HRH2
SCHEMBL7983991 0.87 HRH3 (0.66) ALDH1A1MAPTHRH3MMP3HRH2
SCHEMBL7387284 0.87 HRH3 (0.66) ALDH1A1MAPTHRH3MMP3HRH2

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