SCHEMBL10967129

SCHEMBL10967129

CN1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.71

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
SCHEMBL7168715 0.93 HTR3A (0.81) HTR3A
SCHEMBL7341277 0.86 HTR3A (0.75) HTR3A
SCHEMBL15963055 0.84 HTR3A (0.65) HTR3A
Lerisetron SCHEMBL141124 0.83 HTR3A (1.00) HTR3A
Lerisetron SCHEMBL30669539 0.83 HTR3A (1.00) HTR3A
SCHEMBL2641012 0.83 CFTR (0.56) HTR3A
SCHEMBL4435849 0.83 HTR3A (0.67) HTR3A
SCHEMBL14198327 0.82 HTR3A (0.71) HTR3A
Lerisetron SCHEMBL29040939 0.82 HTR3A (0.97) HTR3A
SCHEMBL9761998 0.82 KDM4E (0.53) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079545-A1 Benzimidazole derivatives, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1983-05-25 EP claimed
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-4434265-A STABILIZERS AGAINST OXIDATION OF OLEFIN POLYMERS THE B.F. GOODRICH COMPANY (US) 1984-02-28 US 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