Sugi Predict

Sugi Predict / Compounds / SCHEMBL5280171

SCHEMBL5280171

SCHEMBL5280171

CC(O)c1ccc(OCCCCCN2CCCC2)cc1.CCN(CC)CCCCCOc1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.63
▸ SLC6A4 P31645 1/20 0.54
▸ HRH2 P25021 1/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL5296696 0.90 HRH3 (0.74) HRH3HRH2HRH1
SCHEMBL491582 0.83 MEN1 (0.69) HRH3MEN1KMT2A
SCHEMBL7391167 0.82 HRH3 (0.72) HRH3SLC6A4HRH2HRH1
SCHEMBL7387065 0.81 ABCB11 (0.50) HRH3KMT2A
SCHEMBL12741310 0.80 MAOB (0.51) HRH3
SCHEMBL5281178 0.80 HRH4 (0.69) HRH3
SCHEMBL7422153 0.80 HRH3 (0.58) HRH3SLC6A4HRH2HRH1
SCHEMBL491835 0.79 HRH3 (1.00) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL7391801 0.79 HRH3 (0.78) HRH3SLC6A4HRH2HRH1
SCHEMBL5277493 0.78 HRH3 (0.61) HRH3SLC6A4HRH2HRH1

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
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 — — EP disclosed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 — — WO disclosed