SCHEMBL8940049

SCHEMBL8940049

CCC1(CC)CCc2cccc(C(=O)NC3CC4CCCC(C3)N4C)c2O1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.48
KCNH2 Q12809 2/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL8940076 0.96 HTR3A (0.44) HTR3AKCNH2
SCHEMBL8939955 0.85 HTR3A (0.46) HTR3AKCNH2
SCHEMBL8939969 0.83 HTR3A (0.46) HTR3AKCNH2
SCHEMBL8939944 0.81 HTR3A (0.52) HTR3AKCNH2
SCHEMBL8940135 0.81 HTR3A (0.47) HTR3A
SCHEMBL8939998 0.77 PKM (0.52) HTR3AKCNH2
SCHEMBL8939972 0.76 HTR3A (0.50) HTR3A
SCHEMBL7270924 0.75 HTR3A (0.55) HTR3AKCNH2
SCHEMBL7270946 0.75 HTR3A (0.55) HTR3AKCNH2
SCHEMBL7270942 0.75 HTR3A (0.55) HTR3AKCNH2

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-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-4997956-A Analgesics ELI LILLY AND COMPANY (US) 1991-03-05 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