SCHEMBL20182940

SCHEMBL20182940

O=C(Cc1ccccc1)NC1COc2ccc(F)cc2C1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.64
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
AIMP2 Q13155 1/20 0.46
LTB4R Q15722 6/20 0.44
LTB4R2 Q9NPC1 6/20 0.44
PSMB5 P28074 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
CCR3 P51677 2/20 0.43
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42

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 0.85 AIMP2 (0.56) GRM7AIMP2LTB4RLTB4R2PSMB5
SCHEMBL20182824 0.85 LTB4R (0.56) GRM7AIMP2LTB4RLTB4R2PSMB5
SCHEMBL20182938 0.78 GRM7 (1.00) GRM7DRD2DRD3LTB4RLTB4R2
SCHEMBL21542297 0.78 GRM7 (1.00) GRM7DRD2DRD3LTB4RLTB4R2
SCHEMBL21542299 0.78 GRM7 (1.00) GRM7DRD2DRD3LTB4RLTB4R2
SCHEMBL20182774 0.75 PSMB5 (0.52) AIMP2LTB4RLTB4R2PSMB5RAB9A
SCHEMBL20182785 0.74 AIMP2 (0.52) GRM7AIMP2PSMB5SIGMAR1RAB9A
SCHEMBL20182838 0.74 AIMP2 (0.51) GRM7AIMP2PSMB5SIGMAR1RAB9A
SCHEMBL20182939 0.73 PSMB5 (0.50) AIMP2LTB4RLTB4R2PSMB5ALDH1A1
SCHEMBL12066948 0.73 GRM7 (0.54) GRM7DRD2DRD3LTB4RLTB4R2

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