SCHEMBL20183002

SCHEMBL20183002

C=C/C(=C\C=C(C)C)CC(=O)NC1COc2ccccc2C1NC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.33
MTNR1A P48039 1/20 0.32
PSMB5 P28074 3/20 0.32
HTR2B P41595 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLS O94925 1/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SSTR4 P31391 1/20 0.30
ALOX5 P09917 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL20183001 0.80 GRM7 (0.39) GRM7
SCHEMBL20182939 0.77 PSMB5 (0.50) PSMB5LTB4RLTB4R2MAPTCYP2D6
SCHEMBL20182827 0.74 GRM7 (0.40) GRM7MTNR1APSMB5HTR2BLTB4R
SCHEMBL20182785 0.73 AIMP2 (0.52) GRM7PSMB5CYP2D6
SCHEMBL20166004 0.68 GRM7 (0.61) GRM7LTB4RLTB4R2
SCHEMBL20166003 0.68 GRM7 (0.61) GRM7LTB4RLTB4R2
SCHEMBL30487147 0.68 GRM7 (0.61) GRM7LTB4RLTB4R2
SCHEMBL21542240 0.68 GRM7 (0.61) GRM7LTB4RLTB4R2
SCHEMBL21542241 0.68 GRM7 (0.61) GRM7LTB4RLTB4R2
SCHEMBL20166001 0.68 GRM7 (0.61) GRM7LTB4RLTB4R2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 WO disclosed