SCHEMBL11468245

SCHEMBL11468245

N#CN/C(=N\CCCCCO)NCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.42
HRH2 P25021 6/20 0.42
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MIF P14174 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11468247 1.00 HRH4 (0.42) HRH4HRH2HRH1HRH3MIF
SCHEMBL7753802 0.83 HRH4 (0.45) HRH4HRH2HRH1HRH3
SCHEMBL7753798 0.83 HRH4 (0.45) HRH4HRH2HRH1HRH3
SCHEMBL11467208 0.82 MIF (0.39) HRH4HRH2HRH3MIF
SCHEMBL11467205 0.81 HRH4 (0.51) HRH4HRH2HRH3MEN1CYP1A2
SCHEMBL11467207 0.81 HRH4 (0.51) HRH4HRH2HRH3MEN1CYP1A2
SCHEMBL11192767 0.74 HRH4 (0.46) HRH4HRH2HRH3MEN1CYP1A2
SCHEMBL9996188 0.71 NAAA (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL9996187 0.71 NAAA (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL7098788 0.70 HRH4 (0.43) HRH4HRH2HRH3CYP1A2

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-RE30457-E HISTAMINE RECEPTOR ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-12-23 US disclosed
US-4152453-A HISTAMINE RECEPTOR ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-01 US disclosed