SCHEMBL20182785

SCHEMBL20182785

CNC1c2ccccc2OCC1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.52
GRM7 Q14831 3/20 0.46
PSMB5 P28074 2/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
GAA P10253 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL20182939 0.91 PSMB5 (0.50) AIMP2PSMB5CYP2D6CYP2C9CYP2C19
SCHEMBL20182837 0.87 AIMP2 (0.46) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182869 0.86 AIMP2 (0.56) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182838 0.83 AIMP2 (0.51) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182784 0.80 GRM7 (0.71) AIMP2GRM7POLBDGAT2P2RX7
SCHEMBL21542298 0.80 GRM7 (0.71) AIMP2GRM7POLBDGAT2P2RX7
SCHEMBL21542296 0.80 GRM7 (0.71) AIMP2GRM7POLBDGAT2P2RX7
SCHEMBL20183017 0.79 AIMP2 (0.49) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182778 0.79 AIMP2 (0.49) AIMP2GRM7PSMB5CYP2D6CYP2C9
SCHEMBL20182998 0.78 AIMP2 (0.47) AIMP2GRM7PSMB5SIGMAR1POLB

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