SCHEMBL6980096

SCHEMBL6980096

[N]C1CCCCC(CCC2CCNCC2)N1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.32
GBA1 P04062 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL6979078 0.77 POLB (0.42) HRH3
SCHEMBL7957882 0.73 CYP1A2 (0.44) GNAO1GBA1HRH3
SCHEMBL332080 0.72 GNAO1 (0.45) GNAO1GBA1HRH3
Hydrochloric Acid SCHEMBL8902556 0.71 GNAO1 (0.41) GNAO1HRH3
Hydrochloric Acid SCHEMBL11196770 0.71 GNAO1 (0.43) GNAO1GBA1HRH3
SCHEMBL6980801 0.70
Hydrochloric Acid SCHEMBL3670602 0.70 GNAO1 (0.48) GNAO1GBA1HRH3
SCHEMBL9384345 0.70 GNAO1 (0.44) GNAO1GBA1HRH3
Hydrochloric Acid SCHEMBL4486629 0.70 GNAO1 (0.48) GNAO1GBA1HRH3
SCHEMBL6969276 0.69

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