SCHEMBL14068356

SCHEMBL14068356

COc1cc(C)c(Cl)cc1NC(=O)Cn1c(=O)n(CC(=O)NCCO)c(=O)c2ccccc21

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 15/20 0.87
MAPT P10636 2/20 0.57

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
SCHEMBL3309364 0.93 S1PR2 (1.00) S1PR2MAPT
SCHEMBL14068348 0.92 S1PR2 (0.74) S1PR2
SCHEMBL14068504 0.91 S1PR2 (0.72) S1PR2MAPT
SCHEMBL14068513 0.91 S1PR2 (0.72) S1PR2MAPT
SCHEMBL14068487 0.89 S1PR2 (0.75) S1PR2MAPT
SCHEMBL14068493 0.88 S1PR2 (0.68) S1PR2MAPT
SCHEMBL22693549 0.88 S1PR2 (0.83) S1PR2MAPT
SCHEMBL14068353 0.87 S1PR2 (0.71) S1PR2MAPT
SCHEMBL14068374 0.87 S1PR2 (0.66) S1PR2MAPT
SCHEMBL14068349 0.86 S1PR2 (0.73) S1PR2MAPT

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
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 WO disclosed