SCHEMBL6132298

SCHEMBL6132298

CCOC(=O)c1ccc(N2CCN(c3ccc(N4CCC5(CC4)OCCO5)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
POLB P06746 2/20 0.50
HSP90AA1 P07900 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.46
SIRT2 Q8IXJ6 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
SCHEMBL1743474 0.99 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2425881 0.93 KMT2A (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6134434 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL22015905 0.85 HPGD (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL20188098 0.85 HPGD (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL17543032 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL15238296 0.84 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2941901 0.82 HTT (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2951762 0.82 HPGD (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL4690718 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; 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