Sugi Predict

Sugi Predict / Compounds / SCHEMBL7422153

SCHEMBL7422153

SCHEMBL7422153

CCCN(CCC)CCCCCOc1ccc(C#N)cc1.CCN(CC)CCCCOc1ccc(C#N)cc1.CCN(CC)CCOc1ccc(C#N)cc1.CN(C)CCCOc1ccc(C#N)cc1.N#Cc1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.58
▸ SLC6A4 P31645 2/20 0.58
▸ HRH2 P25021 1/20 0.55
▸ HRH1 P35367 1/20 0.55

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
SCHEMBL7391167 0.90 HRH3 (0.72) HRH3SLC6A4HRH2HRH1
SCHEMBL5296696 0.87 HRH3 (0.74) HRH3HRH2HRH1
SCHEMBL7391801 0.84 HRH3 (0.78) HRH3SLC6A4HRH2HRH1
SCHEMBL5276493 0.83 KDM4E (0.56) —
SCHEMBL5288638 0.82 MAOA (0.51) —
SCHEMBL5286366 0.81 MAOA (0.52) —
SCHEMBL5280171 0.80 HRH3 (0.63) HRH3SLC6A4HRH2HRH1
SCHEMBL5277493 0.78 HRH3 (0.61) HRH3SLC6A4HRH2HRH1
SCHEMBL5281178 0.77 HRH4 (0.69) HRH3
SCHEMBL490779 0.77 MAOA (0.56) HRH3

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-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 — — EP claimed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 — — WO claimed