SCHEMBL6132453

SCHEMBL6132453

CC1CN(C2CCN(c3ccc(-c4nnc(N)s4)cc3)CC2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 5/20 0.39
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7324945 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM
SCHEMBL7324936 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM
SCHEMBL6134795 0.80 MEN1 (0.49) HRH3ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6134791 0.80 MEN1 (0.49) HRH3ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL1645940 0.79 L3MBTL1 (0.49) HRH3ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL12082268 0.75 L3MBTL1 (0.50) HRH3ALDH1A1SMN1; SMN2KDM4ETP53
SCHEMBL7316756 0.75 KDM4E (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM
SCHEMBL8160141 0.74 KDM4E (0.54) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM
SCHEMBL7325194 0.73 GAA (0.53) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM
SCHEMBL6134446 0.73 KDM4E (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EMGAM

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