SCHEMBL6132834

SCHEMBL6132834

CC1CN(C2CCN(c3ccc(C#N)cc3)CC2)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
KDM4E B2RXH2 5/20 0.46
TP53 P04637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALK Q9UM73 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL12082268 0.84 L3MBTL1 (0.50) HRH3KDM4ETP53L3MBTL1L3MBTL3
SCHEMBL1645940 0.82 L3MBTL1 (0.49) HRH3KDM4ETP53L3MBTL1L3MBTL3
SCHEMBL7989190 0.81 L3MBTL3 (0.54) HRH3IRAK4KDM4ETP53L3MBTL1
SCHEMBL10395267 0.80 L3MBTL3 (0.73) HRH3KDM4ETP53L3MBTL1L3MBTL3
SCHEMBL7991862 0.79 L3MBTL3 (0.53) HRH3IRAK4KDM4ETP53L3MBTL1
SCHEMBL725292 0.79 L3MBTL3 (0.71) HRH3KDM4ETP53L3MBTL1L3MBTL3
SCHEMBL1748901 0.78 KDM4E (0.58) HRH3KDM4ETP53SMN1; SMN2CHRNA10
SCHEMBL1647379 0.77 KMT2A (0.62) KDM4ETP53L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5800431 0.77 KDM4E (0.61) HRH3KDM4ETP53L3MBTL1L3MBTL3
SCHEMBL13558248 0.75 HRH3 (0.50) HRH3KDM4ETP53ALDH1A1CHRNA10

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