SCHEMBL6050502

SCHEMBL6050502

O=[N+]([O-])C1CCCCNC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
APLNR P35414 2/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PNMT P11086 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8829098 0.93
SCHEMBL8795601 0.84
SCHEMBL11196042 0.76 SLC6A1 (0.30) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL6050498 0.74
SCHEMBL1192805 0.73 GSR (0.38) LMNAMAPT
SCHEMBL1192208 0.73 GSR (0.38) LMNAMAPT
SCHEMBL264241 0.73 GSR (0.38) LMNAMAPT
SCHEMBL62178 0.73
SCHEMBL9921595 0.73
SCHEMBL1192536 0.73 GSR (0.38) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280794-B1 DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2006-07-05 EP disclosed
US-6537959-B2 Diazacycloalkanes, i.e., 1,4,6-trimethyl-6-(n-(pyridin-2-ylmethyl)-N-methylamino)-1,4 -diazacycloheptane; ligands in manganese, iron and cobalt transition metal complexes. UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-03-25 US disclosed
EP-1280794-A1 DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2003-02-05 EP disclosed
US-20020049148-A1 Bleach catalyst and composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-04-25 US disclosed
WO-2001085717-A1 DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-11-15 WO disclosed