SCHEMBL7130261

SCHEMBL7130261

CCCCCN(CCCCC)Cc1ccc(CN(CCCCC)CCCCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.70
HRH3 Q9Y5N1 1/20 0.61
KCNH2 Q12809 2/20 0.50

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
SCHEMBL7120513 0.98 MAPT (0.68) MAPTHRH3KCNH2
SCHEMBL7787166 0.98 MAPT (0.68) MAPTHRH3KCNH2
SCHEMBL7127342 0.98 MAPT (0.68) MAPTHRH3KCNH2
SCHEMBL9166930 0.98 MAPT (0.68) MAPTHRH3KCNH2
SCHEMBL8252658 0.92 MAPT (0.61) MAPTHRH3KCNH2
SCHEMBL14367557 0.92 MAPT (0.61) MAPTHRH3KCNH2
SCHEMBL8252356 0.92 MAPT (0.61) MAPTHRH3KCNH2
SCHEMBL7764341 0.89 KCNH2 (0.59) MAPTKCNH2
SCHEMBL7760673 0.89 KCNH2 (0.59) MAPTKCNH2
SCHEMBL8722872 0.89 KCNH2 (0.59) MAPTKCNH2

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-6664224-B2 Microbiocides; sterilization TOAGOSEI CO., LTD. (JP) 2003-12-16 US disclosed
US-20020006888-A1 Novel quaternary ammonium salt and process for the preparation thereof TOAGOSEI CO., LTD. 2002-01-17 US disclosed
EP-1156030-A1 Novel quaternary ammonium salt and process for the preparation thereof TOAGOSEI CO., LTD. (JP) 2001-11-21 EP disclosed