SCHEMBL6133068

SCHEMBL6133068

COCCCCCCOc1ccc(N2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
ALDH1A1 P00352 2/20 0.64
HIF1A Q16665 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
USP2 O75604 1/20 0.61
DRD3 P35462 1/20 0.54
CASP6 P55212 1/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL30862674 0.92 MAPT (0.63) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6538956 0.89 MAPT (0.71) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6132518 0.88 MAPT (0.63) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL6132675 0.86 MAPT (0.63) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL10914118 0.83 MAPT (0.60) MAPTALDH1A1HIF1ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL6132467 0.83 TSHR (0.57) MAPTALDH1A1HIF1ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7331330 0.83 TSHR (0.57) MAPTALDH1A1HIF1ASMN1; SMN2KDM4E
SCHEMBL21659403 0.82 HRH3 (0.68) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL5717380 0.82 MAPT (0.58) MAPTALDH1A1HIF1ASMN1; SMN2USP2
SCHEMBL14207944 0.81 MAPT (0.60) 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