SCHEMBL7145840

SCHEMBL7145840

Nc1ncnc2cc(CN3CCN(C(=O)O)[C@@H](CO)C3=O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.48
DGAT1 O75907 1/20 0.37
GRM2 Q14416 4/20 0.34
PI4K2A Q9BTU6 1/20 0.33
NR1I2 O75469 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7145836 1.00 F10 (0.48) F10DGAT1GRM2PI4K2ANR1I2
SCHEMBL4389189 0.91 F10 (0.47) F10DGAT1GRM2NR1I2
SCHEMBL7144367 0.90 F10 (0.47) F10DGAT1GRM2
SCHEMBL7144382 0.90 F10 (0.47) F10DGAT1GRM2
SCHEMBL4388083 0.89 F10 (0.46) F10DGAT1GRM2NR1I2
SCHEMBL4388077 0.89 F10 (0.46) F10DGAT1GRM2NR1I2
SCHEMBL7150928 0.89 F10 (0.47) F10DGAT1GRM2NR1I2
SCHEMBL1384927 0.89 F10 (0.46) F10DGAT1GRM2
SCHEMBL7150921 0.89 F10 (0.47) F10DGAT1GRM2NR1I2
SCHEMBL1651383 0.89 F10 (0.46) F10DGAT1GRM2

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
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed