SCHEMBL7430644

SCHEMBL7430644

CC(=O)Nc1c(Cl)cc(C(=O)NCCC23CCCN2CCC3)c2c1CC(C)O2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HCN4 Q9Y3Q4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNA7 P36544 1/20 0.33
PARP1 P09874 1/20 0.32
CCR5 P51681 1/20 0.32
SLC6A9 P48067 3/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2800097 0.86 HTR4 (0.69) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7395407 0.83 HTR4 (0.67) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7393687 0.80 HTR4 (0.74) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7435639 0.80 HTR3A (0.55) HTR4HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL7394288 0.79 HTR4 (0.61) HTR4HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL7394291 0.79 HTR4 (0.61) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7430400 0.78 PARP1 (0.51) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7434513 0.76 HTR4 (0.67) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7443357 0.74 PARP1 (0.39) KDM4ETDP1PARP1
SCHEMBL7438457 0.74 HTR4 (0.64) HTR4HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442077-A Benzo[B]Furancarboxamide derivatives, process for the preparation of same and use thereof for improving hypermotility SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-08-15 US claimed
EP-0640602-A1 Benzo[b]furancarboxamide derivatives, process for their preparation and their use as gastrointestinal mobility-enhancing agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-03-01 EP claimed
US-5442077-A Benzo[B]Furancarboxamide derivatives, process for the preparation of same and use thereof for improving hypermotility SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-08-15 US disclosed
EP-0640602-A1 Benzo[b]furancarboxamide derivatives, process for their preparation and their use as gastrointestinal mobility-enhancing agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-03-01 EP disclosed