SCHEMBL6132485

SCHEMBL6132485

CCOC(=O)c1ccc(N2CCN(c3ccc(OCCCOC4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
KCNH2 Q12809 1/20 0.54
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TBXAS1 P24557 1/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 1/20 0.44

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
Hydrochloric Acid SCHEMBL6132820 0.84 MEN1 (0.52) HRH3KCNH2MAPTHSD17B10HPGD
SCHEMBL6539173 0.84 SCN1A (0.55) HRH3KCNH2HRH1SCN1ASCN2A
SCHEMBL6134525 0.84 HPGD (0.47) HRH3KCNH2MAPTHPGDTSHR
SCHEMBL6132581 0.82 MAPT (0.54) HRH3KCNH2MAPTPOLBALDH1A1
SCHEMBL6134511 0.81 ALDH1A1 (0.47) MAPTHPGDTSHRPOLBTDP1
SCHEMBL6132455 0.81 ALDH1A1 (0.49) MAPTHPGDTSHRPOLBTDP1
SCHEMBL6538754 0.81 THRA (0.59) HRH3KCNH2MAPTHSD17B10HPGD
SCHEMBL6132957 0.80 HRH3 (0.55) HRH3KCNH2MAPTHSD17B10HPGD
SCHEMBL7323856 0.79 ALDH1A1 (0.50) MAPTHPGDTSHRPOLBTDP1
SCHEMBL7313812 0.79 ALDH1A1 (0.50) MAPTHPGDTSHRPOLBTDP1

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