SCHEMBL20182838

SCHEMBL20182838

CN(C)C1c2ccccc2OCC1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.51
GRM7 Q14831 3/20 0.45
PSMB5 P28074 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.37
GAA P10253 1/20 0.37

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) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182785 0.83 AIMP2 (0.52) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL21542201 0.81 GRM7 (0.70) AIMP2GRM7ALDH1A1P2RX7
SCHEMBL20182839 0.81 GRM7 (0.70) AIMP2GRM7ALDH1A1P2RX7
SCHEMBL21542200 0.81 GRM7 (0.70) AIMP2GRM7ALDH1A1P2RX7
SCHEMBL20182778 0.78 AIMP2 (0.49) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20183017 0.78 AIMP2 (0.49) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182837 0.77 AIMP2 (0.46) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182998 0.77 AIMP2 (0.47) AIMP2GRM7PSMB5SIGMAR1POLB
SCHEMBL25626240 0.77 AIMP2 (0.47) AIMP2GRM7PSMB5SIGMAR1EGFR

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