SCHEMBL6132957

SCHEMBL6132957

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.55
KCNH2 Q12809 1/20 0.55
MAPT P10636 8/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HIF1A Q16665 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TBXAS1 P24557 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6538754 0.91 THRA (0.59) HRH3KCNH2MAPTHSD17B10HPGD
SCHEMBL6134366 0.89 MAPT (0.52) HRH3KCNH2MAPTHSD17B10HPGD
SCHEMBL6134734 0.87 HRH3 (0.51) HRH3KCNH2MAPTHPGDTSHR
SCHEMBL6134423 0.86 HRH3 (0.48) HRH3KCNH2MAPTHSD17B10HPGD
SCHEMBL6132804 0.86 HPGD (0.46) HRH3KCNH2MAPTHPGDTSHR
SCHEMBL7340620 0.84 KCNH2 (0.62) HRH3KCNH2MAPTTSHRTBXAS1
Hydrochloric Acid SCHEMBL7331330 0.84 TSHR (0.57) HRH3MAPTHSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL6132467 0.84 TSHR (0.57) HRH3MAPTHSD17B10HPGDTSHR
SCHEMBL22015905 0.83 HPGD (0.65) MAPTHPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL20188098 0.83 HPGD (0.65) MAPTHPGDTSHRALDH1A1SMN1; SMN2

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