SCHEMBL6132581

SCHEMBL6132581

CC(=O)N1CCN(c2ccc(OCCCOC3CCCCC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALDH1A1 P00352 2/20 0.54
HIF1A Q16665 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
USP2 O75604 1/20 0.52
KDM1A O60341 2/20 0.48
GFER P55789 2/20 0.46
CASP6 P55212 1/20 0.46
GAA P10253 1/20 0.46
DRD3 P35462 1/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44
HRH3 Q9Y5N1 3/20 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) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6132419 0.84 MAPT (0.50) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6132485 0.82 HRH3 (0.54) MAPTALDH1A1HIF1AHRH3KCNH2
SCHEMBL6539208 0.81 GFER (0.57) MAPTALDH1A1SMN1; SMN2USP2GFER
SCHEMBL6132675 0.80 MAPT (0.63) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL3586173 0.80 HRH3 (0.71) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6132905 0.79 HRH3 (0.48) KDM1AHRH3KCNH2
SCHEMBL21659403 0.78 HRH3 (0.68) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6538956 0.78 MAPT (0.71) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6133068 0.78 MAPT (0.64) MAPTALDH1A1HIF1ASMN1; SMN2USP2

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