SCHEMBL8964986

SCHEMBL8964986

c1ncc(CCCCc2cnc[nH]2)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.79
HRH4 Q9H3N8 6/20 0.79
HRH1 P35367 7/20 0.76
HRH2 P25021 2/20 0.76

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
SCHEMBL8963957 0.97 HRH3 (0.80) HRH3HRH4HRH1HRH2
SCHEMBL8963886 0.95 HRH3 (0.75) HRH3HRH4HRH1HRH2
SCHEMBL8963903 0.89 HRH3 (0.73) HRH3HRH4HRH1HRH2
SCHEMBL1723732 0.89 HRH3 (0.88) HRH3HRH4HRH1HRH2
SCHEMBL4687435 0.89 HRH3 (0.66) HRH3HRH4HRH1HRH2
Imbutamine SCHEMBL28015739 0.89 HRH3 (1.00) HRH3HRH4HRH1HRH2
SCHEMBL12677795 0.89 HRH3 (0.66) HRH3HRH4HRH1HRH2
SCHEMBL27971323 0.89 HRH3 (0.66) HRH3HRH4HRH1HRH2
SCHEMBL7576395 0.87 HRH3 (0.85) HRH3HRH4HRH1HRH2
SCHEMBL9220957 0.87 HRH3 (1.00) HRH3HRH4HRH1HRH2

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
US-5525621-A CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS CYTOS PHARMACEUTICALS LLC (US) 1996-06-11 US disclosed