SCHEMBL20182824

SCHEMBL20182824

O=C(Cc1ccccc1)NC1COc2ccccc2C1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.56
LTB4R2 Q9NPC1 4/20 0.56
PSMB5 P28074 2/20 0.54
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EPHX2 P34913 1/20 0.46
AIMP2 Q13155 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GRM7 Q14831 1/20 0.45
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20182869 0.90 AIMP2 (0.56) LTB4RLTB4R2PSMB5MAPTAIMP2
SCHEMBL20182774 0.86 PSMB5 (0.52) LTB4RLTB4R2PSMB5MAPTMEN1
SCHEMBL20182940 0.85 GRM7 (0.64) LTB4RLTB4R2PSMB5MAPTAIMP2
SCHEMBL697338 0.84 LTB4R (0.47) LTB4RLTB4R2PSMB5GRM7POLB
SCHEMBL697337 0.84 LTB4R (0.47) LTB4RLTB4R2PSMB5GRM7POLB
SCHEMBL696877 0.84 LTB4R (0.47) LTB4RLTB4R2PSMB5GRM7POLB
SCHEMBL696876 0.84 LTB4R (0.47) LTB4RLTB4R2PSMB5GRM7POLB
SCHEMBL20182939 0.84 PSMB5 (0.50) LTB4RLTB4R2PSMB5MAPTMEN1
SCHEMBL25626161 0.83 PSMB5 (0.49) LTB4RLTB4R2PSMB5MAPTMEN1
SCHEMBL25626141 0.79 LTB4R (0.40) LTB4RLTB4R2PSMB5GRM7

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-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
WO-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 WO disclosed