SCHEMBL20182827

SCHEMBL20182827

C=C/C=C(\C)CC(=O)NC1COc2ccccc2C1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
MTNR1A P48039 1/20 0.36
SSTR4 P31391 1/20 0.35
HTR2B P41595 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
PSMB5 P28074 3/20 0.34
GLS O94925 2/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL697338 0.77 LTB4R (0.47) GRM7LTB4RLTB4R2MTNR1ASSTR4
SCHEMBL696876 0.77 LTB4R (0.47) GRM7LTB4RLTB4R2MTNR1ASSTR4
SCHEMBL697337 0.77 LTB4R (0.47) GRM7LTB4RLTB4R2MTNR1ASSTR4
SCHEMBL696877 0.77 LTB4R (0.47) GRM7LTB4RLTB4R2MTNR1ASSTR4
SCHEMBL20182824 0.76 LTB4R (0.56) GRM7LTB4RLTB4R2MAPTCYP3A4
SCHEMBL20183002 0.74 GRM7 (0.33) GRM7LTB4RLTB4R2MTNR1ASSTR4
SCHEMBL20182869 0.72 AIMP2 (0.56) GRM7LTB4RLTB4R2MAPTCYP3A4
SCHEMBL25626141 0.70 LTB4R (0.40) GRM7LTB4RLTB4R2SSTR4HTR2B
SCHEMBL21542268 0.69 KDM1A (0.44) GRM7LTB4RLTB4R2SSTR4CYP3A4
SCHEMBL21542203 0.69 KDM1A (0.44) GRM7LTB4RLTB4R2SSTR4CYP3A4

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