SCHEMBL8939997

SCHEMBL8939997

CC1(C)Cc2cccc(C(=O)NC3CC4CCC(C3)N4Cc3ccccc3)c2O1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
OPRK1 P41145 2/20 0.51
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL8939947 0.88 L3MBTL1 (0.55) L3MBTL1MEN1KMT2AOPRK1
SCHEMBL8939998 0.85 PKM (0.52) MEN1KMT2APKMNPSR1
SCHEMBL8940010 0.82 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AOPRK1
Maleic Acid SCHEMBL10482709 0.82 KDM4E (0.48) PKMNPSR1
SCHEMBL8939944 0.81 HTR3A (0.52) PKMNPSR1
Maleic Acid SCHEMBL8940065 0.78 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AOPRK1
SCHEMBL8939969 0.75 HTR3A (0.46) MEN1KMT2A
Tropapride SCHEMBL2110411 0.74 DRD3 (0.79) L3MBTL1
SCHEMBL9196873 0.73 HTR4 (0.44)
SCHEMBL15249477 0.73 KMT2A (0.78) L3MBTL1MEN1KMT2AOPRK1

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