SCHEMBL8940010

SCHEMBL8940010

CC1Cc2cccc(C(=O)NC3CC4CCC(C3)N4Cc3ccccc3)c2O1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
OPRK1 P41145 2/20 0.52
LMNA P02545 1/20 0.49

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 SCHEMBL8940065 0.95 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1OPRK1
SCHEMBL8939959 0.84 PARP1 (0.53) KMT2AMEN1
Hydrochloric Acid SCHEMBL9204228 0.83 PARP1 (0.52) KMT2AMEN1
SCHEMBL8939997 0.82 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1OPRK1
Tropapride SCHEMBL2110411 0.75 DRD3 (0.79) L3MBTL1
SCHEMBL15249477 0.73 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1LMNA
SCHEMBL3595934 0.73 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1LMNA
SCHEMBL16250460 0.73 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1LMNA
SCHEMBL1886766 0.73 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1LMNA
SCHEMBL3595931 0.73 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1LMNA

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