SCHEMBL1728189

SCHEMBL1728189

CC(C)c1nc2c(OC(=O)NCC3CCN(CC4CCN(C(=O)c5ccc(F)cc5F)CC4)CC3)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.59
HTR3A P46098 11/20 0.59
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
PARP1 P09874 2/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL29400702 0.89 HTR4 (0.75) HTR4HTR3APARP1PARP2
SCHEMBL829765 0.89 HTR4 (0.75) HTR4HTR3APARP1PARP2
SCHEMBL1728218 0.87 HTR4 (0.63) HTR4HTR3APARP1PARP2
SCHEMBL1728064 0.84 HTR4 (0.59) HTR4HTR3A
SCHEMBL1726614 0.84 HTR4 (0.59) HTR4HTR3A
SCHEMBL1727585 0.84 HTR4 (0.59) HTR4HTR3APARP1MAPK1SMN1; SMN2
SCHEMBL1726873 0.81 HTR4 (0.48) HTR4HTR3AHTR2AHTR2CPARP1
SCHEMBL1728116 0.78 HTR3A (0.45) HTR4HTR3AHTR2AHTR2CPARP1
SCHEMBL1728620 0.76 HTR4 (0.49) HTR4HTR3APARP1
SCHEMBL828864 0.75 HTR4 (0.79) 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