SCHEMBL7304555

SCHEMBL7304555

Cc1csc2c(O)c(C(=O)NC3CC4CCC(C3)N4C)cnc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41

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
SCHEMBL7288976 0.89 HTR3A (0.44) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL7284925 0.80 MEN1 (0.46) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL7288791 0.77
SCHEMBL9199760 0.73 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9533289 0.67 HTR3A (0.55) HTR3AMEN1KMT2AHTR3EHTR3B
Hydrochloric Acid SCHEMBL9533542 0.66 HTR3A (0.54) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL7435030 0.66 HTR3A (0.72) HTR3AKMT2AHTR3EHTR3BHTR3D
SCHEMBL15495317 0.65 MEN1 (0.59) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL9429391 0.65 HTR3A (0.57) HTR3AMEN1KMT2AHTR3EHTR3B
SCHEMBL7435024 0.65 NPC1 (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560348-B1 Thieno 3,2-b pyridine derivatives for the treatment of gastrointestinal disorders MITSUBISHI CHEM CORP (JP) 2002-07-10 EP disclosed
US-5352685-A Gastrointestinal disorders MITSUBISHI KASEI CORPORATION (JP) 1994-10-04 US disclosed