SCHEMBL3380174

SCHEMBL3380174

N=C1OCCN1c1cccc(CN2Cc3c(cccc3N(CS(=O)(=O)O)C(=O)c3ccc(Cl)s3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
GAA P10253 1/20 0.33
DHPS P49366 1/20 0.33
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL4245786 0.92 F10 (0.41) F10DHPSOPRM1
SCHEMBL4250023 0.90 F10 (0.42) F10DHPSOPRM1
SCHEMBL4243981 0.89 F10 (0.38) F10OPRM1
SCHEMBL3380134 0.88 PREP (0.35) F10OPRM1
SCHEMBL3380064 0.86 F10 (0.38) F10GAAALDH1A1
SCHEMBL4244644 0.85 F10 (0.35) F10OPRM1
SCHEMBL4251882 0.85 F10 (0.35) F10OPRM1
SCHEMBL4245572 0.85 F10 (0.35) F10OPRM1
SCHEMBL3613837 0.85 F10 (0.58) F10ALDH1A1
SCHEMBL8225992 0.83 F10 (0.61) F10DHPSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029586-B1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-11-24 EP disclosed
EP-2029586-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137800-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed