SCHEMBL3380134

SCHEMBL3380134

N=C1OCCN1c1cccc(CN2Cc3cccc(N(CS(=O)(=O)O)C(=O)c4ccc(Cl)s4)c3C2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.35
PARP1 P09874 2/20 0.35
F10 P00742 4/20 0.34
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
SCHEMBL3380833 0.93 F10 (0.35) PREPPARP1F10
SCHEMBL4244644 0.91 F10 (0.35) F10OPRM1
SCHEMBL4247278 0.90 F10 (0.35) PREPPARP1F10OPRM1
SCHEMBL3380174 0.88 F10 (0.43) F10OPRM1
SCHEMBL3382415 0.86 F10 (0.38) PARP1F10
SCHEMBL4243981 0.85 F10 (0.38) F10OPRM1
SCHEMBL4245786 0.85 F10 (0.41) F10OPRM1
SCHEMBL4245572 0.85 F10 (0.35) F10OPRM1
SCHEMBL3616876 0.83 F10 (0.44) PREPPARP1F10
SCHEMBL4250023 0.83 F10 (0.42) F10OPRM1

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