SCHEMBL8939964

SCHEMBL8939964

CC1(C)Cc2cccc(C(=O)NC3CN4CCC3CC4)c2O1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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 SCHEMBL10401263 0.94 PKM (0.48) PKMLMNANPSR1
SCHEMBL8940119 0.89
SCHEMBL7418695 0.85 HTR3A (0.49)
SCHEMBL8939939 0.83 HTR3A (0.66)
SCHEMBL8939966 0.83 HTR3A (0.50)
SCHEMBL9486464 0.82 HTR3A (0.50)
SCHEMBL8939974 0.81 HTR3A (0.48)
SCHEMBL8940172 0.81 HTR3A (0.48)
SCHEMBL8940015 0.81 HTR3A (0.48)
SCHEMBL8939972 0.81 HTR3A (0.50)

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 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-4997956-A Analgesics ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed
EP-0307172-A2 Improvements in or relating to specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1989-03-15 EP disclosed