SCHEMBL20182939

SCHEMBL20182939

CNC1c2ccccc2OCC1NC(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.50
MAPT P10636 2/20 0.47
AIMP2 Q13155 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PSMB8 P28062 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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
SCHEMBL20182785 0.91 AIMP2 (0.52) PSMB5AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL20182824 0.84 LTB4R (0.56) PSMB5MAPTAIMP2CYP1A2CYP2D6
SCHEMBL25626161 0.84 PSMB5 (0.49) PSMB5MAPTAIMP2CYP1A2CYP2D6
SCHEMBL20182774 0.82 PSMB5 (0.52) PSMB5MAPTAIMP2CYP1A2CYP2D6
SCHEMBL20166004 0.78 GRM7 (0.61) LTB4RLTB4R2POLBP2RX7
SCHEMBL20166003 0.78 GRM7 (0.61) LTB4RLTB4R2POLBP2RX7
SCHEMBL30487147 0.78 GRM7 (0.61) LTB4RLTB4R2POLBP2RX7
SCHEMBL21542241 0.78 GRM7 (0.61) LTB4RLTB4R2POLBP2RX7
SCHEMBL21542240 0.78 GRM7 (0.61) LTB4RLTB4R2POLBP2RX7
SCHEMBL20166001 0.78 GRM7 (0.61) LTB4RLTB4R2POLBP2RX7

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