SCHEMBL1728064

SCHEMBL1728064

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.59
HTR3A P46098 10/20 0.59
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL828780 0.88 HTR4 (0.75) HTR4HTR3A
SCHEMBL29400525 0.88 HTR4 (0.75) HTR4HTR3A
SCHEMBL1728189 0.84 HTR4 (0.59) HTR4HTR3A
SCHEMBL1728218 0.83 HTR4 (0.63) HTR4HTR3A
SCHEMBL1727585 0.81 HTR4 (0.59) HTR4HTR3A
SCHEMBL1726614 0.81 HTR4 (0.59) HTR4HTR3A
SCHEMBL1726873 0.77 HTR4 (0.48) HTR4HTR3ALMNA
SCHEMBL1728620 0.76 HTR4 (0.49) HTR4HTR3A
Felcisetrag SCHEMBL390795 0.75 HTR4 (1.00) HTR4HTR3A
Felcisetrag SCHEMBL4361880 0.74 HTR4 (0.98) 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 1 patent. 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