SCHEMBL4635935

SCHEMBL4635935

Cc1cc(F)ccc1C(=O)N1CCCC(c2noc(-c3ccc(F)cc3)n2)C1.Cc1oncc1C(=O)N1CCCC(c2noc(-c3ccc(F)cc3F)n2)C1.O=C(c1ccc(F)cc1)N1CCCC(c2noc(-c3ccccc3)n2)C1.O=C(c1ccc(F)nc1)N1CCCC(c2noc(-c3ccc(F)cc3F)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BTK Q06187 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 1/20 0.40
CLPP Q16740 1/20 0.40
SCN9A Q15858 1/20 0.40
RAB9A P51151 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL4233101 0.84 HSD11B1 (0.50) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4598435 0.84 ALDH1A1 (0.56) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4233173 0.83 MEN1 (0.47) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4232158 0.82 HSD11B1 (0.69) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4227442 0.82 ALDH1A1 (0.54) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4236491 0.81 HSD11B1 (0.60) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4222914 0.81 HSD11B1 (0.60) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4227413 0.80 GRM5 (0.57) HSD11B1MEN1KMT2ATSHRGRM5
SCHEMBL4233373 0.80 HSD11B1 (0.61) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4229033 0.80 HSD11B1 (0.61) HSD11B1GRM5CLPPSCN9A

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-1893606-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-05 EP claimed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO claimed