SCHEMBL6967476

SCHEMBL6967476

COc1ccc(CCC2CCCCC([N])N2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
SLC18A2 Q05940 1/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL4810155 0.86 SLC18A2 (0.50) SLC18A2
SCHEMBL6973609 0.83 ALDH1A1 (0.49) HRH3
SCHEMBL6981221 0.80 POLB (0.45)
SCHEMBL6967480 0.77 HRH3 (0.41) HRH3SLC18A2HTTMAOB
SCHEMBL6976836 0.77 GAA (0.40) HRH3
SCHEMBL13393801 0.77 HRH3 (0.46) HRH3MAOB
SCHEMBL6812111 0.75 CALM1 (0.51) SLC18A2
SCHEMBL19681498 0.73 MAOB (0.60) HRH3SLC18A2HTTMAOB
SCHEMBL16838790 0.72 MAOB (0.63) HRH3MAOB
SCHEMBL6978953 0.72 NR1H4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed