SCHEMBL8940044

SCHEMBL8940044

CN1C2CCC1CC(NC(=O)c1cc(Cl)c3c(c1)CC(C)(C)O3)C2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTR4 Q13639 1/20 0.44
HTR3A P46098 1/20 0.40
MAPT P10636 1/20 0.39

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
Zatosetron SCHEMBL466401 0.83 HTR3A (0.51) MEN1KMT2AHTR4HTR3A
Zatosetron SCHEMBL466399 0.83 HTR3A (0.51) MEN1KMT2AHTR4HTR3A
Zatosetron SCHEMBL466400 0.83 HTR3A (0.51) MEN1KMT2AHTR4HTR3A
Zatosetron SCHEMBL30949358 0.83 HTR3A (0.51) MEN1KMT2AHTR4HTR3A
SCHEMBL8940096 0.82 MEN1 (0.46) MEN1KMT2AHTR4HTR3A
SCHEMBL8939985 0.81 MEN1 (0.50) MEN1KMT2AHTR4HTR3A
SCHEMBL8940011 0.81 MEN1 (0.55) MEN1KMT2A
SCHEMBL8939990 0.80 MEN1 (0.43) MEN1KMT2AHTR4HTR3A
SCHEMBL8939976 0.79 HTR3A (0.49) MEN1KMT2AHTR4HTR3A
SCHEMBL8939946 0.79 HTR4 (0.42) MEN1KMT2AHTR4HTR3A

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 6 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