SCHEMBL828780

SCHEMBL828780

CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)Nc5ccccc5F)CC4)CC3)cccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.75
HTR3A P46098 16/20 0.75

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
SCHEMBL29400525 1.00 HTR4 (0.75) HTR4HTR3A
SCHEMBL1728064 0.88 HTR4 (0.59) HTR4HTR3A
Felcisetrag SCHEMBL390795 0.86 HTR4 (1.00) HTR4HTR3A
SCHEMBL1724211 0.86 HTR4 (0.87) HTR4HTR3A
Felcisetrag SCHEMBL4361880 0.85 HTR4 (0.98) HTR4HTR3A
SCHEMBL29400702 0.84 HTR4 (0.75) HTR4HTR3A
SCHEMBL829765 0.84 HTR4 (0.75) HTR4HTR3A
SCHEMBL828983 0.83 HTR4 (0.82) HTR4HTR3A
SCHEMBL29397319 0.83 HTR4 (0.82) HTR4HTR3A
SCHEMBL27850731 0.83 HTR4 (0.82) HTR4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 EP claimed
US-8143279-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-03-27 US disclosed
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 EP disclosed