SCHEMBL8963903

SCHEMBL8963903

c1ncc(CCc2cnc[nH]2)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.73
HRH4 Q9H3N8 6/20 0.73
HRH1 P35367 6/20 0.73
HRH2 P25021 3/20 0.73
LMNA P02545 1/20 0.73
MIF P14174 1/20 0.73
TSHR P16473 1/20 0.73
APEX1 P27695 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
TAAR1 Q96RJ0 1/20 0.68
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
PKM P14618 1/20 0.64

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
SCHEMBL8963886 0.89 HRH3 (0.75) HRH3HRH4HRH1HRH2LMNA
SCHEMBL8964986 0.89 HRH3 (0.79) HRH3HRH4HRH1HRH2
SCHEMBL890317 0.87
SCHEMBL8963957 0.87 HRH3 (0.80) HRH3HRH4HRH1HRH2
SCHEMBL5107846 0.85
SCHEMBL2006357 0.85
SCHEMBL16435160 0.85
Bromide SCHEMBL10400874 0.83
Hydrochloric Acid SCHEMBL11356357 0.83
Histamine SCHEMBL16778301 0.83 HRH3 (1.00) HRH3HRH4HRH1HRH2LMNA

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