SCHEMBL6132455

SCHEMBL6132455

CCOC(=O)c1ccc(N2CCN(c3ccc(N4CCC(OC5CCCCC5)CC4)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.46
FDFT1 P37268 1/20 0.45

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
SCHEMBL7313812 0.99 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2SIRT2
SCHEMBL6539173 0.86 SCN1A (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2SIRT2
SCHEMBL6134107 0.84 MEN1 (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2SIRT2
SCHEMBL7325952 0.84 HPGD (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2SIRT2
SCHEMBL22015905 0.84 HPGD (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL20188098 0.84 HPGD (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6134915 0.84 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL20187714 0.82 HPGD (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2SIRT2
SCHEMBL3900474 0.82 SIRT2 (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2SIRT2
SCHEMBL6135228 0.82 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD

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