SCHEMBL5556736

SCHEMBL5556736

c1cnn(CN2CCN(Cn3cccn3)CCN(Cn3cccn3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AURKA O14965 2/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
DAO P14920 1/20 0.33
HIF1A Q16665 1/20 0.32
HTT P42858 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL17305901 1.00 FDPS (0.38) FDPSTSHRL3MBTL1GAAMAPT
SCHEMBL7587812 1.00 FDPS (0.38) FDPSTSHRL3MBTL1GAAMAPT
SCHEMBL1332399 0.92 CHRNA7 (0.37) FDPSTSHRL3MBTL1AURKA
SCHEMBL8607491 0.91 FDPS (0.36) FDPSTSHRL3MBTL1GAAMAPT
SCHEMBL28157738 0.91 FDPS (0.36) FDPSTSHRL3MBTL1GAAMAPT
SCHEMBL31682404 0.86 HTT (0.41) FDPSGAAMAPTHTTLMNA
SCHEMBL6204930 0.84 SIGMAR1 (0.35) FDPSTSHRL3MBTL1DAOLMNA
SCHEMBL1333423 0.82 GNAI3 (0.46) L3MBTL1GAALMNA
SCHEMBL1969312 0.82 AURKA (0.33) L3MBTL1AURKALMNABRD4
SCHEMBL1651954 0.82 FDPS (0.45) FDPSTSHRGAAMAPTDAO

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610641-B2 Transition metal complex UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-08-26 US claimed
EP-1341893-B1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER NV (NL) 2007-05-02 EP disclosed
EP-1208186-B1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2006-05-10 EP disclosed
US-6610641-B2 Transition metal complex UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-08-26 US disclosed
US-20030050211-A1 Enzymatic detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-03-13 US disclosed
US-20020137654-A1 Enzymatic detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-09-26 US disclosed
US-20020010120-A1 Composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 US disclosed