SCHEMBL8940279

SCHEMBL8940279

CN1C2CCC1CC(NC(=O)c1cccc3c1SC(C)(C)C3)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR3A P46098 7/20 0.46
HTR3E A5X5Y0 4/20 0.46
HTR3B O95264 4/20 0.46
HTR3D Q70Z44 4/20 0.46
HTR3C Q8WXA8 4/20 0.46
KCNH2 Q12809 1/20 0.45

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
Maleic Acid SCHEMBL9757972 0.94 KDM4E (0.48) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL8939998 0.78 PKM (0.52) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL9201788 0.76 MEN1 (0.55) MEN1KMT2A
SCHEMBL7269216 0.74 HTR3A (0.51) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL7270849 0.74 HTR3A (0.51) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL7276361 0.74 HTR3A (0.51) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL7269263 0.74 HTR3A (0.51) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL7269268 0.74 HTR3A (0.51) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL7270520 0.74 HTR3A (0.51) MEN1KMT2AHTR3AHTR3EHTR3B
SCHEMBL8939969 0.74 HTR3A (0.46) MEN1KMT2AHTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364863-A Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders ELI LILLY AND COMPANY (US) 1994-11-15 US claimed
US-5563148-A BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0307172-B1 Improvements in or relating to specific 5-HT3 antagonists LILLY CO ELI (US) 1995-10-11 EP disclosed
US-5442078-A Intermediates for specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
US-5364863-A Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders ELI LILLY AND COMPANY (US) 1994-11-15 US disclosed
US-4921982-A 5-halo-2,3-dihydro-2,2-dimethylbenzofuran-7-carboxylic acids useful as intermediates for 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1990-05-01 US disclosed
EP-0307172-A2 Improvements in or relating to specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1989-03-15 EP disclosed