SCHEMBL4589756

SCHEMBL4589756

O=C(Nc1ccncc1)OC1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 3/20 0.45
GRM5 P41594 1/20 0.44
CLPP Q16740 1/20 0.44
BCHE P06276 1/20 0.44
MAOB P27338 1/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2824404 1.00 KDM4E (0.49) KDM4EPOLBGAARECQLKMT2A
SCHEMBL4680830 0.92 PTPN1 (0.51) KMT2ABCHEMAOBATMPTPN1
SCHEMBL4591147 0.89 BCHE (0.56) BCHEMAOBATMNPC1RAB9A
SCHEMBL2821924 0.89 BCHE (0.56) BCHEMAOBATMNPC1RAB9A
SCHEMBL13910106 0.87 ALDH1A1 (0.54) POLBGRM5BCHEMAOBPTPN1
SCHEMBL8249953 0.85 GFER (0.56) GAAKMT2ARAB9ASMN1; SMN2
SCHEMBL8259525 0.84 SMN1; SMN2 (0.51) KMT2ABCHEMAOBSMN1; SMN2
SCHEMBL2825700 0.82 NPC1 (0.56) BCHEMAOBATMPTPN1NPC1
SCHEMBL8259627 0.81 RAB9A (0.49) GAAKMT2AGRM5CLPPBCHE
SCHEMBL936129 0.81 BCHE (0.53) POLBKMT2ABCHEMAOBRAB9A

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-1893200-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-05 EP claimed
WO-2006123244-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO claimed
EP-1893200-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-05 EP disclosed
WO-2006123244-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO disclosed