SCHEMBL7430400

SCHEMBL7430400

CC1Cc2c(N)ccc(C(=O)NCCC34CCCN3CCC4)c2O1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR4 Q13639 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
GAA P10253 2/20 0.35
CHRNA7 P36544 1/20 0.34
HCN4 Q9Y3Q4 3/20 0.34
HCN1 O60741 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.32

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 0.84 HTR4 (0.69) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7430644 0.78 HTR4 (0.54) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7393687 0.77 HTR4 (0.74) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7435639 0.77 HTR3A (0.55) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7434513 0.73 HTR4 (0.67) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7394948 0.73 HTR3E (0.60) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7389639 0.72 HTR4 (0.49) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7438457 0.70 HTR4 (0.64) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7397303 0.70 HTR3E (0.42) PARP1HTR3EHTR3BHTR3AHTR4
SCHEMBL7393297 0.70 HTR3E (0.67) PARP1HTR3EHTR3BHTR3AHTR4

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-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