SCHEMBL539753

SCHEMBL539753

CC(C)(C)OC(=O)N1CC(F)(F)CC1(I)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL502555 0.80 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL705951 0.80 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL6919845 0.80 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL992886 0.74 USP2 (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL15116517 0.74 GRIN2B (0.33) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL31645901 0.73 NR1H2 (0.34) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL20054625 0.73 GRIN2B (0.32) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL28935456 0.72 GPR119 (0.37)
SCHEMBL193269 0.72 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2
SCHEMBL20054876 0.72 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CHRM2

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-2414350-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-08 EP disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed