SCHEMBL300098

SCHEMBL300098

N#CC1COCc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
HTR2A P28223 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL23704762 0.76 HTR2A (0.33) HTR2A
SCHEMBL23930713 0.76 SIGMAR1 (0.32)
SCHEMBL1722308 0.74 GRIN2D (0.41) HTR2A
SCHEMBL7431326 0.74 GRIN2D (0.41) HTR2A
SCHEMBL29960735 0.74 MEN1 (0.31) HTR2A
SCHEMBL25180633 0.71 HTR2A (0.34) NOTUMHTR2A
SCHEMBL23505819 0.71 HTR2A (0.34) NOTUMHTR2A
SCHEMBL19829945 0.71 HTR2A (0.43) NOTUMHTR2A
SCHEMBL19829938 0.71 HTR2A (0.43) NOTUMHTR2A
SCHEMBL15145778 0.71 HTR2A (0.43) NOTUMHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP claimed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO claimed
EP-1458703-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2003053948-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2003-07-03 WO disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed