SCHEMBL9212633

SCHEMBL9212633

CCOCCn1c(N2CCNCC2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.66

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
SCHEMBL6598243 0.95 HTR3A (0.61) HTR3A
SCHEMBL10922792 0.88
SCHEMBL7655663 0.88
SCHEMBL7432371 0.86 HTR3A (0.74) HTR3A
SCHEMBL10926483 0.85
SCHEMBL10919444 0.84
SCHEMBL17417624 0.84 HTR3A (0.73) HTR3A
Iodide SCHEMBL7626107 0.83 HTR3A (0.57) HTR3A
SCHEMBL7621226 0.83 HTR3A (0.63) HTR3A
Emedastine SCHEMBL29770 0.83

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079545-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KANEBO, LTD. (JP) 1986-05-21 EP claimed
US-4430343-A ANTIHISTAMINES KANEBO, LTD. (JP) 1984-02-07 US claimed
EP-0079545-A1 Benzimidazole derivatives, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1983-05-25 EP claimed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-0468884-B1 Benzimidazole derivatives, their preparation and their application as medicaments ESTEVE LABOR DR (ES) 1995-12-20 EP disclosed
US-5182280-A DERIVATIVES OF BENZIMIDAZOLE AND THEIR USE AS ANTIHISTAMINES LABORATORIOS DEL DR. ESTEVE, S. A. (ES) 1993-01-26 US disclosed
EP-0468884-A1 Benzimidazole derivatives, their preparation and their application as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-01-29 EP disclosed
EP-0079545-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KANEBO, LTD. (JP) 1986-05-21 EP disclosed
US-4430343-A ANTIHISTAMINES KANEBO, LTD. (JP) 1984-02-07 US disclosed
EP-0079545-A1 Benzimidazole derivatives, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1983-05-25 EP disclosed