SCHEMBL1726589

SCHEMBL1726589

COC(=O)ON1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 19/20 0.80
HTR3A P46098 16/20 0.80
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47

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
SCHEMBL28074651 0.93 HTR4 (0.80) HTR4HTR3APARP1PARP2
SCHEMBL1726769 0.92 HTR4 (0.71) HTR4HTR3APARP1PARP2
Felcisetrag SCHEMBL390795 0.89 HTR4 (1.00) HTR4HTR3A
Felcisetrag SCHEMBL4361880 0.88 HTR4 (0.98) HTR4HTR3A
SCHEMBL27850731 0.88 HTR4 (0.82) HTR4HTR3APARP1PARP2
SCHEMBL29397319 0.88 HTR4 (0.82) HTR4HTR3APARP1PARP2
SCHEMBL828983 0.88 HTR4 (0.82) HTR4HTR3APARP1PARP2
SCHEMBL1728485 0.88 HTR4 (0.63) HTR4HTR3APARP1PARP2
SCHEMBL1724211 0.87 HTR4 (0.87) HTR4HTR3APARP1PARP2
Formic Acid Methyl Ester SCHEMBL28074652 0.86 HTR4 (0.77) HTR4HTR3APARP1PARP2

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