SCHEMBL4707699

SCHEMBL4707699

Cc1c(CN2CCC(c3c(F)cccc3Cl)CC2)c2ccccc2n1CC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
C5AR1 P21730 1/20 0.35
OPRL1 P41146 1/20 0.35
S1PR5 Q9H228 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4776203 0.89 KDM4E (0.46) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4708788 0.88 KDM4E (0.44) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
Trifluoroacetic Acid SCHEMBL4707696 0.87 PTGDR2 (0.47) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4708166 0.86 KMT2A (0.40) KDM4ETSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL4779433 0.86 PTGDR2 (0.50) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4778231 0.85 KDM4E (0.46) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4774108 0.84 KDM4E (0.44) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4778810 0.84 KDM4E (0.46) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4780894 0.82 LMNA (0.47) KDM4ETSHRPOLBSMN1; SMN2PTGDR2
SCHEMBL4773925 0.82 POLB (0.42) KDM4ETSHRPOLBSMN1; SMN2PTGDR2

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
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed
EP-1873150-A1 Fluorinated indoleamides useful as ligands of the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2008-01-02 EP disclosed