SCHEMBL7659058

SCHEMBL7659058

CC(O)c1cccc2c(NC(=O)Nc3ccc(N(C)C)cc3)ccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.64
HTR2C P28335 3/20 0.64
HCRTR1 O43613 3/20 0.58
HCRTR2 O43614 3/20 0.58
RAB9A P51151 6/20 0.56
MAPT P10636 6/20 0.56
TDP1 Q9NUW8 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NOX1 Q9Y5S8 4/20 0.56
GAA P10253 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 3/20 0.47
P2RY1 P47900 2/20 0.46
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL7656800 0.82 HTR2B (0.66) HTR2BHTR2CHCRTR1HCRTR2RAB9A
Hydrochloric Acid SCHEMBL7655748 0.82 HCRTR1 (0.70) HTR2BHTR2CHCRTR1HCRTR2RAB9A
Hydrochloric Acid SCHEMBL7658449 0.82 HTR2B (0.66) HTR2BHTR2CHCRTR1HCRTR2RAB9A
SCHEMBL7661474 0.80 HTR2B (0.64) HTR2BHTR2CHCRTR1HCRTR2RAB9A
Hydrochloric Acid SCHEMBL7657543 0.80 HTR2C (0.64) HTR2BHTR2CHCRTR1HCRTR2RAB9A
SCHEMBL7457165 0.78 HTR2C (1.00) HTR2BHTR2CHCRTR1HCRTR2RAB9A
Hydrochloric Acid SCHEMBL7661483 0.77 HTR2C (0.97) HTR2BHTR2CHCRTR1HCRTR2RAB9A
SCHEMBL7101667 0.75 HTR2C (0.72) HTR2BHTR2CHCRTR1HCRTR2RAB9A
SCHEMBL3101355 0.74 HCRTR1 (1.00) HTR2BHTR2CHCRTR1HCRTR2RAB9A
SCHEMBL38660785 0.74 HCRTR1 (1.00) HTR2BHTR2CHCRTR1HCRTR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed