SCHEMBL20183017

SCHEMBL20183017

O=C(Cc1ccc(F)cc1)NC1COc2ccccc2C1N1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.49
SIGMAR1 Q99720 2/20 0.43
GRM7 Q14831 3/20 0.42
KCNQ2 O43526 1/20 0.42
PSMB5 P28074 2/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL20182778 0.98 AIMP2 (0.49) AIMP2SIGMAR1GRM7KCNQ2PSMB5
SCHEMBL25626240 0.92 AIMP2 (0.47) AIMP2SIGMAR1GRM7KCNQ2PSMB5
SCHEMBL20182999 0.86 AIMP2 (0.45) AIMP2SIGMAR1GRM7KCNQ2PSMB5
SCHEMBL20182998 0.83 AIMP2 (0.47) AIMP2SIGMAR1GRM7PSMB5TSHR
SCHEMBL20182869 0.83 AIMP2 (0.56) AIMP2SIGMAR1GRM7PSMB5EGFR
SCHEMBL30487148 0.81 GRM7 (0.66) GRM7HTR2BPGR
SCHEMBL21542196 0.81 GRM7 (0.66) GRM7HTR2BPGR
SCHEMBL21542195 0.81 GRM7 (0.66) GRM7HTR2BPGR
SCHEMBL20183016 0.81 GRM7 (0.66) GRM7HTR2BPGR
SCHEMBL20182785 0.79 AIMP2 (0.52) AIMP2SIGMAR1GRM7PSMB5EGFR

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