SCHEMBL16456594

SCHEMBL16456594

CC(C)(C)OC(=O)NCc1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
HDAC1 Q13547 2/20 0.50
NAMPT P43490 2/20 0.48
LPAR1 Q92633 7/20 0.47
LPAR5 Q9H1C0 7/20 0.47
CARM1 Q86X55 4/20 0.47
PRMT6 Q96LA8 4/20 0.47
PARP10 Q53GL7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL27295180 0.82 SCN9A (0.47) FAAHHDAC1NAMPTCARM1PRMT6
SCHEMBL31473430 0.82 SCN9A (0.47) FAAHHDAC1NAMPTCARM1PRMT6
SCHEMBL1444314 0.81 HPGD (0.59) FAAHNAMPTL3MBTL1
SCHEMBL4616649 0.81 MAPK14 (0.53) HDAC1NAMPTL3MBTL1
SCHEMBL8214975 0.81 HDAC1 (0.50) HDAC1NAMPTL3MBTL1
Hydrochloric Acid SCHEMBL27698235 0.80 HPGD (0.58) FAAHNAMPTL3MBTL1
SCHEMBL3180689 0.79 L3MBTL1 (0.61) HDAC1NAMPTL3MBTL1
SCHEMBL184462 0.79 GRM2 (0.48) FAAHHDAC1NAMPT
SCHEMBL16192942 0.78 FAAH (0.57) FAAHHDAC1NAMPTL3MBTL1
SCHEMBL3838871 0.78 CA12 (0.63) HDAC1NAMPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed