SCHEMBL2655434

SCHEMBL2655434

COC(OC)c1ccc(CCC(N)=O)nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
MTNR1A P48039 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PPARG P37231 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
CAPN1 P07384 1/20 0.31
NNMT P40261 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
SCHEMBL7841990 0.80 ESR1 (0.36) ESR1ESR2PPARG
SCHEMBL12924617 0.77 MTNR1A (0.49) FFAR1MTNR1A
SCHEMBL29144076 0.76 SIRT6 (0.46) SIRT6NNMT
SCHEMBL30242017 0.76 SIRT6 (0.46) SIRT6NNMT
SCHEMBL1851646 0.74 ADRA2A (0.41) FFAR1CAPN1
SCHEMBL12896080 0.73 PARP10 (0.45) FFAR1
SCHEMBL25469623 0.73 PARP10 (0.47) FFAR1
SCHEMBL22557435 0.73 FFAR1 (0.41) FFAR1CAPN1NNMT
SCHEMBL15540157 0.72 IDO1 (0.36) MTNR1ACAPN1
SCHEMBL29308626 0.71 FPR2 (0.45) FFAR1CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960385-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP claimed
WO-2007053503-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed