SCHEMBL1874992

SCHEMBL1874992

CNC(=O)c1ccc(Oc2ccc3c(c2)CCC(C2CCC2)NC3)nc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.64
HRH1 P35367 1/20 0.48
OPRM1 P35372 9/20 0.42
OPRD1 P41143 9/20 0.42
OPRK1 P41145 7/20 0.40

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
Hydrochloric Acid SCHEMBL4438262 0.99 HRH3 (0.63) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3712281 0.88 HRH3 (0.62) HRH3OPRM1OPRD1OPRK1
SCHEMBL1873259 0.87 HRH3 (0.64) HRH3HRH1
SCHEMBL6261967 0.80 HRH3 (0.51) HRH3HRH1
[11C]Gsk-189254 SCHEMBL13217225 0.78 HRH3 (1.00) HRH3HRH1
Gsk189254 SCHEMBL13788699 0.78 HRH3 (1.00) HRH3HRH1
Gsk189254 SCHEMBL29769888 0.78 HRH3 (1.00) HRH3HRH1
Gsk189254 SCHEMBL169579 0.78 HRH3 (1.00) HRH3HRH1
SCHEMBL3077653 0.78 HRH3 (0.67) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3333687 0.78 PDE4B (0.48) HRH3HRH1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131846-A1 NOVEL DOSAGE FORM Glaxo Group Limited (GB) 2009-12-16 EP claimed
WO-2008104589-A1 NOVEL DOSAGE FORM GLAXO GROUP LIMITED (GB) 2008-09-04 WO claimed
WO-2011051423-A1 TREATMENT OR PROPHYLAXIS OF DEMENTIA, NEURODEGENERATIVE DISORDERS, SCHIZOPHRENIA, ADHD, SOMNOLENCE OR EPILEPSY GLAXO GROUP LIMITED (GB) 2011-05-05 WO disclosed
EP-2131846-A1 NOVEL DOSAGE FORM Glaxo Group Limited (GB) 2009-12-16 EP disclosed
WO-2008104589-A1 NOVEL DOSAGE FORM GLAXO GROUP LIMITED (GB) 2008-09-04 WO disclosed