SCHEMBL7500580

SCHEMBL7500580

COC(=O)C1CCCCN(Cc2ccccc2)C1=O.O=C1CCCCCN1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
FKBP1A P62942 1/20 0.47
ACHE P22303 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
NPY1R P25929 1/20 0.43
SRC P12931 5/20 0.43
GAA P10253 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL6261945 1.00 L3MBTL1 (0.61) L3MBTL1FKBP1AACHEHRH3SMN1; SMN2
SCHEMBL2070172 0.92 FKBP1A (0.54) L3MBTL1FKBP1ASMN1; SMN2KMT2ANPY1R
Hydrochloric Acid SCHEMBL5555279 0.87 FKBP1A (0.54) L3MBTL1FKBP1ASMN1; SMN2KMT2AGAA
SCHEMBL20304005 0.83 KDM4E (0.47) HRH3SRCGAA
SCHEMBL9205385 0.80 L3MBTL1 (0.54) L3MBTL1KMT2ANPY1RAPP
SCHEMBL9740346 0.78 L3MBTL1 (0.51) L3MBTL1KMT2ANPY1RSRCGAA
SCHEMBL7269112 0.78 L3MBTL1 (1.00) L3MBTL1ACHEHRH3SMN1; SMN2KMT2A
SCHEMBL1626076 0.78 L3MBTL1 (1.00) L3MBTL1ACHEHRH3SMN1; SMN2KMT2A
SCHEMBL9212361 0.78 L3MBTL1 (1.00) L3MBTL1ACHEHRH3SMN1; SMN2KMT2A
SCHEMBL610772 0.78 L3MBTL1 (1.00) L3MBTL1ACHEHRH3SMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 WO disclosed
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
WO-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 WO disclosed