SCHEMBL20182869

SCHEMBL20182869

O=C(Cc1ccc(F)cc1)NC1COc2ccccc2C1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.56
GRM7 Q14831 3/20 0.49
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
PSMB5 P28074 2/20 0.45
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL20182824 0.90 LTB4R (0.56) AIMP2GRM7LTB4RLTB4R2PSMB5
SCHEMBL20182785 0.86 AIMP2 (0.52) AIMP2GRM7PSMB5EGFRERBB2
SCHEMBL20182940 0.85 GRM7 (0.64) AIMP2GRM7LTB4RLTB4R2PSMB5
SCHEMBL20182838 0.85 AIMP2 (0.51) AIMP2GRM7PSMB5EGFRERBB2
SCHEMBL20182778 0.83 AIMP2 (0.49) AIMP2GRM7PSMB5EGFRERBB2
SCHEMBL20183017 0.83 AIMP2 (0.49) AIMP2GRM7PSMB5EGFRERBB2
SCHEMBL25626240 0.81 AIMP2 (0.47) AIMP2GRM7PSMB5EGFRERBB2
SCHEMBL20182998 0.81 AIMP2 (0.47) AIMP2GRM7PSMB5SIGMAR1POLB
SCHEMBL696877 0.80 LTB4R (0.47) GRM7LTB4RLTB4R2PSMB5ALDH1A1
SCHEMBL696876 0.80 LTB4R (0.47) GRM7LTB4RLTB4R2PSMB5ALDH1A1

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