SCHEMBL4649006

SCHEMBL4649006

O=C(c1ccccc1F)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.57
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ TSHR P16473 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4649008 1.00 HSD11B1 (0.57) HSD11B1MEN1KMT2ANPC1POLB
SCHEMBL3130824 0.92 MEN1 (0.56) HSD11B1MEN1KMT2ANPC1POLB
SCHEMBL3130814 0.92 MEN1 (0.56) HSD11B1MEN1KMT2ANPC1POLB
SCHEMBL3128227 0.90 HSD11B1 (0.51) HSD11B1MEN1KMT2ANPC1POLB
SCHEMBL3128214 0.90 HSD11B1 (0.51) HSD11B1MEN1KMT2ANPC1POLB
SCHEMBL4647105 0.89 HSD11B1 (0.72) HSD11B1MEN1KMT2ANPC1TSHR
SCHEMBL4647096 0.89 HSD11B1 (0.72) HSD11B1MEN1KMT2ANPC1TSHR
SCHEMBL4645685 0.87 NPC1 (0.69) HSD11B1MEN1KMT2ANPC1TSHR
SCHEMBL4645676 0.87 NPC1 (0.69) HSD11B1MEN1KMT2ANPC1TSHR
SCHEMBL3137282 0.86 GRM5 (0.67) HSD11B1MEN1KMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP claimed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — WO claimed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 — — EP disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 — — WO disclosed
Send feedback