SCHEMBL4672923

SCHEMBL4672923

CNC(=O)OC1(CNc2ccc(Cl)nc2)CC1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KCNQ3 O43525 9/20 0.34
KCNQ2 O43526 9/20 0.34
KCNE1 P15382 4/20 0.34
KCNQ1 P51787 4/20 0.34
BACE1 P56817 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4793424 0.88 FPR2 (0.34) FPR3FPR2
SCHEMBL4670888 0.67
SCHEMBL4672927 0.67 MAPKAPK2 (0.36) GAAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4670847 0.66 TNF (0.38) GAAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4669439 0.65
SCHEMBL4818195 0.65 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL3980865 0.64 KDM4E (0.53) RAB9A
SCHEMBL4818188 0.64 KCNQ3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4669026 0.63 TNF (0.38) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4673434 0.63 GRM5 (0.37) KCNQ3KCNQ2FPR3FPR2RAB9A

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-1757586-B1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG SERVIER LAB (FR) 2008-12-03 EP disclosed
EP-1757586-A1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG Les Laboratoires Servier (FR) 2007-02-28 EP disclosed