SCHEMBL6132518

SCHEMBL6132518

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
ALDH1A1 P00352 3/20 0.63
HIF1A Q16665 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
USP2 O75604 1/20 0.60
CASP6 P55212 1/20 0.51
GFER P55789 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
GAA P10253 2/20 0.50
DRD3 P35462 1/20 0.50
LMNA P02545 1/20 0.49
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRA P10827 1/20 0.47

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
SCHEMBL10914118 0.91 MAPT (0.60) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6538956 0.88 MAPT (0.71) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6133068 0.88 MAPT (0.64) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6132675 0.85 MAPT (0.63) MAPTALDH1A1HIF1ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL7330818 0.83 TSHR (0.55) MAPTHRH3THRATHRBHPGD
SCHEMBL30862674 0.82 MAPT (0.63) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL21659403 0.81 HRH3 (0.68) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL5717380 0.81 MAPT (0.58) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL14207944 0.80 MAPT (0.60) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL3586173 0.80 HRH3 (0.71) 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