Sugi Predict

Sugi Predict / Compounds / SCHEMBL14760320

SCHEMBL14760320

SCHEMBL14760320

c1ccc(-c2cnn(CCCCN3CCCCCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.54
▸ KCNH2 Q12809 3/20 0.52
▸ HRH4 Q9H3N8 2/20 0.52
▸ HRH1 P35367 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.49
▸ ATP4A P20648 1/20 0.47
▸ ATP4B P51164 1/20 0.47
▸ ACP1 P24666 1/20 0.47

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
SCHEMBL467285 0.97 HRH3 (0.51) HRH3KCNH2HRH4HRH1ATP4A
SCHEMBL3606647 0.97 HRH3 (0.51) HRH3KCNH2HRH4HRH1ATP4A
Oxalic Acid SCHEMBL3594969 0.93 HRH3 (0.57) HRH3KCNH2HRH4HRH1
Oxalic Acid SCHEMBL3594974 0.93 HRH3 (0.57) HRH3KCNH2HRH4HRH1
SCHEMBL3600144 0.91 CYP1A2 (0.56) HRH3KCNH2HRH1SIGMAR1ACP1
SCHEMBL3596667 0.91 CYP1A2 (0.56) HRH3KCNH2HRH1SIGMAR1ACP1
Oxalic Acid SCHEMBL3598353 0.91 HRH3 (0.54) HRH3KCNH2HRH4HRH1
Oxalic Acid SCHEMBL3598359 0.91 HRH3 (0.54) HRH3KCNH2HRH4HRH1
Oxalic Acid SCHEMBL3600474 0.85 CYP1A2 (0.50) HRH3KCNH2HRH4HRH1
Oxalic Acid SCHEMBL3598170 0.85 CYP1A2 (0.50) HRH3KCNH2HRH4HRH1

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-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 — — EP claimed